N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C16H16N4O2S — CID 154694930

IUPACN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCOCc1csc(NC(=O)c2cccn2Cc2ccncc2)n1
InChIInChI=1S/C16H16N4O2S/c1-22-10-13-11-23-16(18-13)19-15(21)14-3-2-8-20(14)9-12-4-6-17-7-5-12/h2-8,11H,9-10H2,1H3,(H,18,19,21)
InChIKeyJMEQONHGYBNWER-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.79
Rot. Bonds6

About N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 154694930) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID154694930
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCOCc1csc(NC(=O)c2cccn2Cc2ccncc2)n1
InChIInChI=1S/C16H16N4O2S/c1-22-10-13-11-23-16(18-13)19-15(21)14-3-2-8-20(14)9-12-4-6-17-7-5-12/h2-8,11H,9-10H2,1H3,(H,18,19,21)
InChIKeyJMEQONHGYBNWER-UHFFFAOYSA-N
XLogP2.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695420
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
N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069389
N-[4-(oxan-2-ylmethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 169049186
N-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154694949
N-[4-(2-phenylethynyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069351
N-[4-[(E)-3-phenylmethoxyprop-1-enyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695577
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
N-[4-(3-pyridin-2-ylcyclobutyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695030
N-[4-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 164978226
N-[4-(2-methyl-4-phenylbut-3-en-2-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 172686961

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 154694930) is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is COCc1csc(NC(=O)c2cccn2Cc2ccncc2)n1.
What is the InChIKey of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is JMEQONHGYBNWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-22-10-13-11-23-16(18-13)19-15(21)14-3-2-8-20(14)9-12-4-6-17-7-5-12/h2-8,11H,9-10H2,1H3,(H,18,19,21).
What are the key properties of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154694930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).