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

C15H18ClN3OS — CID 134001362

IUPACN-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)C(C)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H18ClN3OS/c1-10(12-4-6-13(16)7-5-12)19(3)8-14-9-21-15(18-14)17-11(2)20/h4-7,9-10H,8H2,1-3H3,(H,17,18,20)
InChIKeyFTIPUTJRHZDQCP-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.95
Rot. Bonds5

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

N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 134001362) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID134001362
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)C(C)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H18ClN3OS/c1-10(12-4-6-13(16)7-5-12)19(3)8-14-9-21-15(18-14)17-11(2)20/h4-7,9-10H,8H2,1-3H3,(H,17,18,20)
InChIKeyFTIPUTJRHZDQCP-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112777248
(E)-3-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108750683
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 34115692
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79233617
5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606722
N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111489947
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574854
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
N-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 37140127
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 45388233

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 134001362) is N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN(C)C(C)c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FTIPUTJRHZDQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-10(12-4-6-13(16)7-5-12)19(3)8-14-9-21-15(18-14)17-11(2)20/h4-7,9-10H,8H2,1-3H3,(H,17,18,20).
What are the key properties of N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 323.85 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 134001362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).