N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide

C12H14N4OS — CID 125420333

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCc1cn2c(n1)SCC2
InChIInChI=1S/C12H14N4OS/c1-8-4-13-6-10(8)11(17)14-5-9-7-16-2-3-18-12(16)15-9/h4,6-7,13H,2-3,5H2,1H3,(H,14,17)
InChIKeyOGVDBGJDQOZFKA-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.56
Rot. Bonds3

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide (PubChem CID 125420333) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide
PubChem CID125420333
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCc1cn2c(n1)SCC2
InChIInChI=1S/C12H14N4OS/c1-8-4-13-6-10(8)11(17)14-5-9-7-16-2-3-18-12(16)15-9/h4,6-7,13H,2-3,5H2,1H3,(H,14,17)
InChIKeyOGVDBGJDQOZFKA-UHFFFAOYSA-N
XLogP1.56
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74246877
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide
CID 119069853
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56913786
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 74232440
5-acetyl-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-3-carboxamide
CID 72843322
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methoxyquinoline-4-carboxamide
CID 74238706
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70757035
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 77082254
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70740816
1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 118784257
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131935821
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95120626

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide (CID 125420333) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)NCc1cn2c(n1)SCC2.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is OGVDBGJDQOZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-4-13-6-10(8)11(17)14-5-9-7-16-2-3-18-12(16)15-9/h4,6-7,13H,2-3,5H2,1H3,(H,14,17).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 125420333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).