N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

C15H17N5OS2 — CID 3214226

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nc2cccnc21
InChIInChI=1S/C15H17N5OS2/c1-4-20-13-11(6-5-7-16-13)18-15(20)22-8-12(21)19-14-17-9(2)10(3)23-14/h5-7H,4,8H2,1-3H3,(H,17,19,21)
InChIKeySBOCKRPYWAOBFO-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.26
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 3214226) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID3214226
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nc2cccnc21
InChIInChI=1S/C15H17N5OS2/c1-4-20-13-11(6-5-7-16-13)18-15(20)22-8-12(21)19-14-17-9(2)10(3)23-14/h5-7H,4,8H2,1-3H3,(H,17,19,21)
InChIKeySBOCKRPYWAOBFO-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
CID 25263291
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967
N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725785
N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 4879010
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 3214226) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nc2cccnc21.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is SBOCKRPYWAOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-4-20-13-11(6-5-7-16-13)18-15(20)22-8-12(21)19-14-17-9(2)10(3)23-14/h5-7H,4,8H2,1-3H3,(H,17,19,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 347.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3214226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).