cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

C16H16N2O2S — CID 35760812

IUPACcis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1C
InChIInChI=1S/C16H16N2O2S/c1-9-14(10(2)19)21-16(17-9)18-15(20)13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H,17,18,20)/t12-,13-/m1/s1
InChIKeyHAYVAGVGKRZPSS-CHWSQXEVSA-N
MW300.38 g/mol
LogP3.40
Rot. Bonds4

About cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 35760812) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID35760812
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Namecis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1C
InChIInChI=1S/C16H16N2O2S/c1-9-14(10(2)19)21-16(17-9)18-15(20)13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H,17,18,20)/t12-,13-/m1/s1
InChIKeyHAYVAGVGKRZPSS-CHWSQXEVSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 742465
methyl 2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 52532688
(1R,2S,4S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11914236
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
CID 154811058
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-phenyl-N-[5-[4-[5-[(2-phenylcyclopropanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 123729437
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254698
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 35760812) is cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is CC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1C.
What is the InChIKey of cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HAYVAGVGKRZPSS-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-14(10(2)19)21-16(17-9)18-15(20)13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H,17,18,20)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 35760812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).