N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide

C17H20ClN3OS — CID 86874999

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
SMILESCc1nc(NC(=O)CN(C)C2CC2)sc1Cc1ccccc1Cl
InChIInChI=1S/C17H20ClN3OS/c1-11-15(9-12-5-3-4-6-14(12)18)23-17(19-11)20-16(22)10-21(2)13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H,19,20,22)
InChIKeySQCLGMMBFSSLQA-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.73
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide (PubChem CID 86874999) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
PubChem CID86874999
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
SMILESCc1nc(NC(=O)CN(C)C2CC2)sc1Cc1ccccc1Cl
InChIInChI=1S/C17H20ClN3OS/c1-11-15(9-12-5-3-4-6-14(12)18)23-17(19-11)20-16(22)10-21(2)13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H,19,20,22)
InChIKeySQCLGMMBFSSLQA-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122094985
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 126782049
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 52699541
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55895563
(2S,5R)-5-(aminomethyl)-N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120788672
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 60531739
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 43836881
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119736971
4-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122094987
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836598
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836971
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55841292

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide (CID 86874999) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide is Cc1nc(NC(=O)CN(C)C2CC2)sc1Cc1ccccc1Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
The InChIKey is SQCLGMMBFSSLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-11-15(9-12-5-3-4-6-14(12)18)23-17(19-11)20-16(22)10-21(2)13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide has a molecular weight of 349.89 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide is sourced from PubChem (CID 86874999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).