2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide

C19H21N3O2S — CID 126791565

IUPAC2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CC2)sc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H21N3O2S/c1-11-18(25-17(20-11)9-12-5-6-12)19(24)21-14-7-8-15-13(10-14)3-2-4-16(23)22-15/h7-8,10,12H,2-6,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGJCAMYPHXKFOEQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.93
Rot. Bonds4

About 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide

2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide (PubChem CID 126791565) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide
PubChem CID126791565
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CC2)sc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H21N3O2S/c1-11-18(25-17(20-11)9-12-5-6-12)19(24)21-14-7-8-15-13(10-14)3-2-4-16(23)22-15/h7-8,10,12H,2-6,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGJCAMYPHXKFOEQ-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide (CID 126791565) is 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide is Cc1nc(CC2CC2)sc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GJCAMYPHXKFOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-18(25-17(20-11)9-12-5-6-12)19(24)21-14-7-8-15-13(10-14)3-2-4-16(23)22-15/h7-8,10,12H,2-6,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide?
2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126791565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).