[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C21H29N3OS — CID 59338506

IUPAC[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccc(C(C)C)cc2)sc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N3OS/c1-14(2)17-6-8-18(9-7-17)20-22-16(5)19(26-20)21(25)24-12-10-23(11-13-24)15(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyYLDQONXQWCGEOZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.41
Rot. Bonds4

About [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59338506) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59338506
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccc(C(C)C)cc2)sc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C21H29N3OS/c1-14(2)17-6-8-18(9-7-17)20-22-16(5)19(26-20)21(25)24-12-10-23(11-13-24)15(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyYLDQONXQWCGEOZ-UHFFFAOYSA-N
XLogP4.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338234
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59337994
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55902672
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718644
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110417362
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59338506) is [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1nc(-c2ccc(C(C)C)cc2)sc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is YLDQONXQWCGEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-14(2)17-6-8-18(9-7-17)20-22-16(5)19(26-20)21(25)24-12-10-23(11-13-24)15(3)4/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 371.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59338506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).