N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide

C16H18ClN3OS — CID 50971822

IUPACN-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(Cc2cncs2)C2CC2)ccc1Cl
InChIInChI=1S/C16H18ClN3OS/c1-11-6-12(2-5-15(11)17)19-16(21)9-20(13-3-4-13)8-14-7-18-10-22-14/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,19,21)
InChIKeyIBSJPKNNPYWRGL-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.71
Rot. Bonds6

About N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide

N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide (PubChem CID 50971822) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide
PubChem CID50971822
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(Cc2cncs2)C2CC2)ccc1Cl
InChIInChI=1S/C16H18ClN3OS/c1-11-6-12(2-5-15(11)17)19-16(21)9-20(13-3-4-13)8-14-7-18-10-22-14/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,19,21)
InChIKeyIBSJPKNNPYWRGL-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
CID 91843440
2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 95143146
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834048
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154510
2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide (CID 50971822) is N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide is Cc1cc(NC(=O)CN(Cc2cncs2)C2CC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide?
The InChIKey is IBSJPKNNPYWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-11-6-12(2-5-15(11)17)19-16(21)9-20(13-3-4-13)8-14-7-18-10-22-14/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide?
N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide is sourced from PubChem (CID 50971822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).