[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

C18H22N4OS — CID 155950204

IUPAC[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2csc(NC3CC3)n2)CC1
InChIInChI=1S/C18H22N4OS/c1-13-4-2-3-5-16(13)21-8-10-22(11-9-21)17(23)15-12-24-18(20-15)19-14-6-7-14/h2-5,12,14H,6-11H2,1H3,(H,19,20)
InChIKeyYGMXOXMRCZGFHJ-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.99
Rot. Bonds4

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

[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 155950204) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID155950204
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2csc(NC3CC3)n2)CC1
InChIInChI=1S/C18H22N4OS/c1-13-4-2-3-5-16(13)21-8-10-22(11-9-21)17(23)15-12-24-18(20-15)19-14-6-7-14/h2-5,12,14H,6-11H2,1H3,(H,19,20)
InChIKeyYGMXOXMRCZGFHJ-UHFFFAOYSA-N
XLogP2.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(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

azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 97061951
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405296
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510328
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 25405161
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510179
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 155950204) is [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2csc(NC3CC3)n2)CC1.
What is the InChIKey of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is YGMXOXMRCZGFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-4-2-3-5-16(13)21-8-10-22(11-9-21)17(23)15-12-24-18(20-15)19-14-6-7-14/h2-5,12,14H,6-11H2,1H3,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 342.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 155950204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).