N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C12H11N5O2S — CID 54771315

IUPACN-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCn1cncc1CNC(=O)n1sc2ncccc2c1=O
InChIInChI=1S/C12H11N5O2S/c1-16-7-13-5-8(16)6-15-12(19)17-11(18)9-3-2-4-14-10(9)20-17/h2-5,7H,6H2,1H3,(H,15,19)
InChIKeyRGFLMCPZDFQFSA-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.95
Rot. Bonds2

About N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 54771315) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID54771315
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCn1cncc1CNC(=O)n1sc2ncccc2c1=O
InChIInChI=1S/C12H11N5O2S/c1-16-7-13-5-8(16)6-15-12(19)17-11(18)9-3-2-4-14-10(9)20-17/h2-5,7H,6H2,1H3,(H,15,19)
InChIKeyRGFLMCPZDFQFSA-UHFFFAOYSA-N
XLogP0.95
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70651205
N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70650678
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770856
2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 154797084
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647
N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166213773
2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 147327859
2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid
CID 134145192
methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10016832
(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate
CID 143001799
N-[(3-methylimidazol-4-yl)methyl]-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126808465
3-[3-(3-methylimidazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 166253569

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 54771315) is N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is Cn1cncc1CNC(=O)n1sc2ncccc2c1=O.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is RGFLMCPZDFQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-16-7-13-5-8(16)6-15-12(19)17-11(18)9-3-2-4-14-10(9)20-17/h2-5,7H,6H2,1H3,(H,15,19).
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 54771315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).