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

C17H18N4OS — CID 138042515

IUPACN-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCCCc1cnc(NC(=O)c2cccn2Cc2ccncc2)s1
InChIInChI=1S/C17H18N4OS/c1-2-4-14-11-19-17(23-14)20-16(22)15-5-3-10-21(15)12-13-6-8-18-9-7-13/h3,5-11H,2,4,12H2,1H3,(H,19,20,22)
InChIKeyCOAMBHSPMMAVHH-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.59
Rot. Bonds6

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

N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 138042515) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID138042515
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCCCc1cnc(NC(=O)c2cccn2Cc2ccncc2)s1
InChIInChI=1S/C17H18N4OS/c1-2-4-14-11-19-17(23-14)20-16(22)15-5-3-10-21(15)12-13-6-8-18-9-7-13/h3,5-11H,2,4,12H2,1H3,(H,19,20,22)
InChIKeyCOAMBHSPMMAVHH-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
N-(4-bromo-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695040
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069410
2-(5-ethyl-1,3-thiazol-2-yl)-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 165060533
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138041534
N-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695420
N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069389
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154694930
N-(1-tert-butyl-1,2,4-triazol-3-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166379839
N-[4-(2-phenylethynyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069351
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
5-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 104599847

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 138042515) is N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is CCCc1cnc(NC(=O)c2cccn2Cc2ccncc2)s1.
What is the InChIKey of N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is COAMBHSPMMAVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-4-14-11-19-17(23-14)20-16(22)15-5-3-10-21(15)12-13-6-8-18-9-7-13/h3,5-11H,2,4,12H2,1H3,(H,19,20,22).
What are the key properties of N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 138042515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).