(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

C19H18N4OS — CID 119041924

IUPAC(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCN1CCCN(C(=O)c2csc(-c3ccccn3)n2)c2ccccc21
InChIInChI=1S/C19H18N4OS/c1-22-11-6-12-23(17-9-3-2-8-16(17)22)19(24)15-13-25-18(21-15)14-7-4-5-10-20-14/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyVVAZPQAFBKPULK-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.69
Rot. Bonds2

About (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 119041924) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID119041924
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCN1CCCN(C(=O)c2csc(-c3ccccn3)n2)c2ccccc21
InChIInChI=1S/C19H18N4OS/c1-22-11-6-12-23(17-9-3-2-8-16(17)22)19(24)15-13-25-18(21-15)14-7-4-5-10-20-14/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyVVAZPQAFBKPULK-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 71877261
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66380814
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 99817841
[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124595892
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
1-methyl-5-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)pyrazole-3-carboxylic acid
CID 154843919
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 95314062
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
1-[5-(2-benzyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 126766077
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (CID 119041924) is (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is CN1CCCN(C(=O)c2csc(-c3ccccn3)n2)c2ccccc21.
What is the InChIKey of (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is VVAZPQAFBKPULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-22-11-6-12-23(17-9-3-2-8-16(17)22)19(24)15-13-25-18(21-15)14-7-4-5-10-20-14/h2-5,7-10,13H,6,11-12H2,1H3.
What are the key properties of (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 350.45 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 119041924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).