2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide

C29H35N5O2S — CID 42876740

IUPAC2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H35N5O2S/c35-27(30-19-22-11-13-24(14-12-22)23-7-3-1-4-8-23)20-33-15-17-34(18-16-33)28(36)26-21-37-29(32-26)31-25-9-5-2-6-10-25/h1,3-4,7-8,11-14,21,25H,2,5-6,9-10,15-20H2,(H,30,35)(H,31,32)
InChIKeyYLEAKGUBJSENDH-UHFFFAOYSA-N
MW517.70 g/mol
LogP4.63
Rot. Bonds8

About 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide (PubChem CID 42876740) has the molecular formula C29H35N5O2S and a molecular weight of 517.70 g/mol. Its IUPAC name is 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
PubChem CID42876740
Molecular FormulaC29H35N5O2S
Molecular Weight517.70 g/mol
Exact Mass517.25
IUPAC Name2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H35N5O2S/c35-27(30-19-22-11-13-24(14-12-22)23-7-3-1-4-8-23)20-33-15-17-34(18-16-33)28(36)26-21-37-29(32-26)31-25-9-5-2-6-10-25/h1,3-4,7-8,11-14,21,25H,2,5-6,9-10,15-20H2,(H,30,35)(H,31,32)
InChIKeyYLEAKGUBJSENDH-UHFFFAOYSA-N
XLogP4.63
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.70
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876723
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 46079107
2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
(2-benzyl-1,3-thiazol-4-yl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 55986034
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 155950204
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42876759

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide (CID 42876740) is 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide is O=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide?
The InChIKey is YLEAKGUBJSENDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2S/c35-27(30-19-22-11-13-24(14-12-22)23-7-3-1-4-8-23)20-33-15-17-34(18-16-33)28(36)26-21-37-29(32-26)31-25-9-5-2-6-10-25/h1,3-4,7-8,11-14,21,25H,2,5-6,9-10,15-20H2,(H,30,35)(H,31,32).
What are the key properties of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide?
2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide has a molecular weight of 517.70 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 42876740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).