N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C17H16N4OS — CID 138041534

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1cccn1Cc1ccncc1
InChIInChI=1S/C17H16N4OS/c22-16(20-17-19-13-3-1-5-15(13)23-17)14-4-2-10-21(14)11-12-6-8-18-9-7-12/h2,4,6-10H,1,3,5,11H2,(H,19,20,22)
InChIKeyMZZXNRNDVNZCNU-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.13
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 138041534) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID138041534
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1cccn1Cc1ccncc1
InChIInChI=1S/C17H16N4OS/c22-16(20-17-19-13-3-1-5-15(13)23-17)14-4-2-10-21(14)11-12-6-8-18-9-7-12/h2,4,6-10H,1,3,5,11H2,(H,19,20,22)
InChIKeyMZZXNRNDVNZCNU-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.13
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-(2-phenylethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695420
N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138042515
N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695211
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-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33040140
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
1-[4-(pyridin-4-ylmethyl)phenyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 166183768
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
N-[4-(oxan-2-ylmethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 169049186

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 138041534) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1nc2c(s1)CCC2)c1cccn1Cc1ccncc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is MZZXNRNDVNZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16(20-17-19-13-3-1-5-15(13)23-17)14-4-2-10-21(14)11-12-6-8-18-9-7-12/h2,4,6-10H,1,3,5,11H2,(H,19,20,22).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 138041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).