N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C16H16N4OS2 — CID 75371666

IUPACN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCSc1sc(NC(=O)c2cccn2Cc2cccnc2)nc1C
InChIInChI=1S/C16H16N4OS2/c1-11-15(22-2)23-16(18-11)19-14(21)13-6-4-8-20(13)10-12-5-3-7-17-9-12/h3-9H,10H2,1-2H3,(H,18,19,21)
InChIKeyYMBGUVUNACBZAY-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.67
Rot. Bonds5

About N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 75371666) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID75371666
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCSc1sc(NC(=O)c2cccn2Cc2cccnc2)nc1C
InChIInChI=1S/C16H16N4OS2/c1-11-15(22-2)23-16(18-11)19-14(21)13-6-4-8-20(13)10-12-5-3-7-17-9-12/h3-9H,10H2,1-2H3,(H,18,19,21)
InChIKeyYMBGUVUNACBZAY-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
1-(pyridin-3-ylmethyl)-N-(4-thiophen-3-ylphenyl)pyrrole-2-carboxamide
CID 166200837
(E)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 167900342
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138041534
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97213270
N-(4-bromo-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695040
N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138042515
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154694930
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069410
methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
CID 24828316
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 60606536
3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
CID 130831835

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 75371666) is N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is CSc1sc(NC(=O)c2cccn2Cc2cccnc2)nc1C.
What is the InChIKey of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is YMBGUVUNACBZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-11-15(22-2)23-16(18-11)19-14(21)13-6-4-8-20(13)10-12-5-3-7-17-9-12/h3-9H,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 75371666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).