7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C16H15N7O2S — CID 155918534

IUPAC7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESNC(=O)c1cn2c(n1)CCN(C(=O)c1csc(-c3ncccn3)n1)CC2
InChIInChI=1S/C16H15N7O2S/c17-13(24)10-8-23-7-6-22(5-2-12(23)20-10)16(25)11-9-26-15(21-11)14-18-3-1-4-19-14/h1,3-4,8-9H,2,5-7H2,(H2,17,24)
InChIKeyQMIHKBPPRMJCMG-UHFFFAOYSA-N
MW369.41 g/mol
LogP0.59
Rot. Bonds3

About 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155918534) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155918534
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESNC(=O)c1cn2c(n1)CCN(C(=O)c1csc(-c3ncccn3)n1)CC2
InChIInChI=1S/C16H15N7O2S/c17-13(24)10-8-23-7-6-22(5-2-12(23)20-10)16(25)11-9-26-15(21-11)14-18-3-1-4-19-14/h1,3-4,8-9H,2,5-7H2,(H2,17,24)
InChIKeyQMIHKBPPRMJCMG-UHFFFAOYSA-N
XLogP0.59
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 136540659
[2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53125120
[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135091402
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124588883
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
3-[(3R)-1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124702033
1-[4-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521519
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide
CID 56797260
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 78813030
N-(3-phenylpropyl)-7-(1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155917182

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155918534) is 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is NC(=O)c1cn2c(n1)CCN(C(=O)c1csc(-c3ncccn3)n1)CC2.
What is the InChIKey of 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is QMIHKBPPRMJCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c17-13(24)10-8-23-7-6-22(5-2-12(23)20-10)16(25)11-9-26-15(21-11)14-18-3-1-4-19-14/h1,3-4,8-9H,2,5-7H2,(H2,17,24).
What are the key properties of 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155918534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).