[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone

C16H19ClN4OS — CID 119829101

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C16H19ClN4OS/c1-11-2-3-12(17)8-14(11)20-4-6-21(7-5-20)16(22)13-10-23-15(9-18)19-13/h2-3,8,10H,4-7,9,18H2,1H3
InChIKeyYMSKOIBKAAKCDB-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.53
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 119829101) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
PubChem CID119829101
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C16H19ClN4OS/c1-11-2-3-12(17)8-14(11)20-4-6-21(7-5-20)16(22)13-10-23-15(9-18)19-13/h2-3,8,10H,4-7,9,18H2,1H3
InChIKeyYMSKOIBKAAKCDB-UHFFFAOYSA-N
XLogP2.53
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone
CID 119747808
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510328
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879941
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[2-[[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3909275
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
CID 121066902

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone (CID 119829101) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc(CN)n2)CC1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is YMSKOIBKAAKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-11-2-3-12(17)8-14(11)20-4-6-21(7-5-20)16(22)13-10-23-15(9-18)19-13/h2-3,8,10H,4-7,9,18H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 350.88 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119829101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).