2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol

C16H15N5O2S3 — CID 160716960

IUPAC2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol
SMILESCn1cncc1-c1cc(-c2nccs2)nc2sc(S(=O)CCO)c(N)c12
InChIInChI=1S/C16H15N5O2S3/c1-21-8-18-7-11(21)9-6-10(14-19-2-4-24-14)20-15-12(9)13(17)16(25-15)26(23)5-3-22/h2,4,6-8,22H,3,5,17H2,1H3
InChIKeyRSPDHDJMQGSSEC-UHFFFAOYSA-N
MW405.53 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol

2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol (PubChem CID 160716960) has the molecular formula C16H15N5O2S3 and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol.

Molecular Properties

Compound Name2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol
PubChem CID160716960
Molecular FormulaC16H15N5O2S3
Molecular Weight405.53 g/mol
Exact Mass405.04
IUPAC Name2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol
SMILESCn1cncc1-c1cc(-c2nccs2)nc2sc(S(=O)CCO)c(N)c12
InChIInChI=1S/C16H15N5O2S3/c1-21-8-18-7-11(21)9-6-10(14-19-2-4-24-14)20-15-12(9)13(17)16(25-15)26(23)5-3-22/h2,4,6-8,22H,3,5,17H2,1H3
InChIKeyRSPDHDJMQGSSEC-UHFFFAOYSA-N
XLogP2.50
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129266591
6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341459
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzaldehyde
CID 118059105
4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059043
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372
2-(2-methoxyethylsulfinyl)-4-(1-methyl-4H-imidazol-1-ium-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 169279919
[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl butanoate
CID 158245330
1-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]-3-ethylurea
CID 122624283
1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]-5-chloropentan-2-one
CID 160636864
2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 158995842
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]acetic acid;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]acetate
CID 160888316

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol?
The IUPAC name of 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol (CID 160716960) is 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol.
What is the SMILES notation for 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol?
The canonical SMILES for 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol is Cn1cncc1-c1cc(-c2nccs2)nc2sc(S(=O)CCO)c(N)c12.
What is the InChIKey of 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol?
The InChIKey is RSPDHDJMQGSSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S3/c1-21-8-18-7-11(21)9-6-10(14-19-2-4-24-14)20-15-12(9)13(17)16(25-15)26(23)5-3-22/h2,4,6-8,22H,3,5,17H2,1H3.
What are the key properties of 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol?
2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol has a molecular weight of 405.53 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol is sourced from PubChem (CID 160716960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).