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

C15H18ClN3OS — CID 86855976

IUPACN-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCc1nc(CN(C)CC(=O)NCc2cccc(Cl)c2)cs1
InChIInChI=1S/C15H18ClN3OS/c1-11-18-14(10-21-11)8-19(2)9-15(20)17-7-12-4-3-5-13(16)6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyCEYBZLMHZXZFBE-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.85
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 86855976) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID86855976
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCc1nc(CN(C)CC(=O)NCc2cccc(Cl)c2)cs1
InChIInChI=1S/C15H18ClN3OS/c1-11-18-14(10-21-11)8-19(2)9-15(20)17-7-12-4-3-5-13(16)6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyCEYBZLMHZXZFBE-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855911
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 8803452
2-(dimethylamino)-N-[3-[[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]acetamide
CID 109422956
N-[3-[[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 109422305
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
CID 52683480
1,2-dimethyl-3-[(3-methylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424994
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2497131
N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide
CID 26399275

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 86855976) is N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide is Cc1nc(CN(C)CC(=O)NCc2cccc(Cl)c2)cs1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is CEYBZLMHZXZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-11-18-14(10-21-11)8-19(2)9-15(20)17-7-12-4-3-5-13(16)6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 323.85 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 86855976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).