N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide

C16H17N3O2S — CID 86907310

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O2S/c1-19(9-14(20)17-12-7-8-12)16(21)13-10-22-15(18-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,20)
InChIKeyIPLODBNGRZMYJZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 86907310) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID86907310
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O2S/c1-19(9-14(20)17-12-7-8-12)16(21)13-10-22-15(18-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,20)
InChIKeyIPLODBNGRZMYJZ-UHFFFAOYSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235762
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813
[2-(cycloheptylamino)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 39967473
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-ethylphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17460948
2-benzylsulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 126830792
2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55388630
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 86907310) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IPLODBNGRZMYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19(9-14(20)17-12-7-8-12)16(21)13-10-22-15(18-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86907310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).