N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine

C21H18N4OS2 — CID 147112440

IUPACN-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine
SMILESC1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]2(CCOC2)NC1
InChIInChI=1S/C21H18N4OS2/c1-2-18-17(23-12-27-18)9-13(1)25-16-4-6-22-20-14(16)10-19(28-20)15-3-7-24-21(15)5-8-26-11-21/h1-4,6,9-10,12,24H,5,7-8,11H2,(H,22,25)/t21-/m1/s1
InChIKeyBMTPENZMBSHGLM-OAQYLSRUSA-N
MW406.54 g/mol
LogP4.80
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine

N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 147112440) has the molecular formula C21H18N4OS2 and a molecular weight of 406.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine
PubChem CID147112440
Molecular FormulaC21H18N4OS2
Molecular Weight406.54 g/mol
Exact Mass406.09
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine
SMILESC1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]2(CCOC2)NC1
InChIInChI=1S/C21H18N4OS2/c1-2-18-17(23-12-27-18)9-13(1)25-16-4-6-22-20-14(16)10-19(28-20)15-3-7-24-21(15)5-8-26-11-21/h1-4,6,9-10,12,24H,5,7-8,11H2,(H,22,25)/t21-/m1/s1
InChIKeyBMTPENZMBSHGLM-OAQYLSRUSA-N
XLogP4.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

N-(1,3-benzothiazol-5-yl)-2-[(5R)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine
CID 147112439
N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
CID 159918038
2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
CID 159835218
N-(1,3-benzothiazol-5-yl)-2-(2,3,4,7-tetrahydro-1H-azepin-6-yl)thieno[2,3-b]pyridin-4-amine
CID 149055486
1-[(6S)-5-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 148974637
N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-amine
CID 154953282
N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 151912469
N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S)-2-methyl-2,5-dihydro-1H-pyrrol-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R)-2-methyl-2,5-dihydro-1H-pyrrol-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)thieno[2,3-b]pyridin-4-amine
CID 162153732
N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-methylazepan-3-yl]thieno[2,3-b]pyridin-4-amine
CID 149203346
2-[[5-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-6-methyl-1,2,3,6-tetrahydropyridin-2-yl]methoxy]acetic acid
CID 154953047
N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 149249921
N-(1,3-benzothiazol-5-yl)-2-(2,5-dihydro-1H-pyrrol-3-yl)thieno[2,3-b]pyridin-4-amine;tert-butyl 3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,5-dihydropyrrole-1-carboxylate
CID 158727856

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine (CID 147112440) is N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine is C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]2(CCOC2)NC1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is BMTPENZMBSHGLM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4OS2/c1-2-18-17(23-12-27-18)9-13(1)25-16-4-6-22-20-14(16)10-19(28-20)15-3-7-24-21(15)5-8-26-11-21/h1-4,6,9-10,12,24H,5,7-8,11H2,(H,22,25)/t21-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine?
N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 406.54 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-[(5S)-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 147112440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).