N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H21N3S2 — CID 62765360

IUPACN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(N2CCc3sccc3C2)sc1CNC1CC1
InChIInChI=1S/C16H21N3S2/c1-2-13-15(9-17-12-3-4-12)21-16(18-13)19-7-5-14-11(10-19)6-8-20-14/h6,8,12,17H,2-5,7,9-10H2,1H3
InChIKeyFHLXJUZWJNNYEU-UHFFFAOYSA-N
MW319.50 g/mol
LogP3.58
Rot. Bonds5

About N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 62765360) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID62765360
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(N2CCc3sccc3C2)sc1CNC1CC1
InChIInChI=1S/C16H21N3S2/c1-2-13-15(9-17-12-3-4-12)21-16(18-13)19-7-5-14-11(10-19)6-8-20-14/h6,8,12,17H,2-5,7,9-10H2,1H3
InChIKeyFHLXJUZWJNNYEU-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62765356
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117477
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine
CID 43280580
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764732
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520
N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430617
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767498
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62764635

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 62765360) is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(N2CCc3sccc3C2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is FHLXJUZWJNNYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-2-13-15(9-17-12-3-4-12)21-16(18-13)19-7-5-14-11(10-19)6-8-20-14/h6,8,12,17H,2-5,7,9-10H2,1H3.
What are the key properties of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 319.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62765360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).