[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C18H24N4OS — CID 27449568

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C18H24N4OS/c1-12-6-5-7-15(13(12)2)21-8-10-22(11-9-21)18(23)16-14(3)20-24-17(16)19-4/h5-7,19H,8-11H2,1-4H3
InChIKeyBDNSSPNYOYCANK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.07
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 27449568) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID27449568
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C18H24N4OS/c1-12-6-5-7-15(13(12)2)21-8-10-22(11-9-21)18(23)16-14(3)20-24-17(16)19-4/h5-7,19H,8-11H2,1-4H3
InChIKeyBDNSSPNYOYCANK-UHFFFAOYSA-N
XLogP3.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-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

N,3-dimethyl-5-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 37988608
3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 42925901
N-(3,4-dimethylphenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24793878
N-[(2,4-difluorophenyl)methyl]-N,3-dimethyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 37947341
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 42953880
(4-Benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 25326408
[4-(3-Chlorophenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 41641607
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 51927656
N,3-dimethyl-5-(methylamino)-N-[(2R)-2-phenylpropyl]-1,2-thiazole-4-carboxamide
CID 95174656
N-[(3S)-1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 97859656
N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 135888535
[5-(Cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 138002578

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 27449568) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CNc1snc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is BDNSSPNYOYCANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-6-5-7-15(13(12)2)21-8-10-22(11-9-21)18(23)16-14(3)20-24-17(16)19-4/h5-7,19H,8-11H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 27449568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).