[4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone

C29H32N4OS — CID 23850112

IUPAC[4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone
SMILESCCCCN(Cc1ccc(C(=O)N2CCNCC2)cc1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C29H32N4OS/c1-2-3-16-33(20-22-8-10-24(11-9-22)28(34)32-17-14-30-15-18-32)29-31-27(21-35-29)26-13-12-23-6-4-5-7-25(23)19-26/h4-13,19,21,30H,2-3,14-18,20H2,1H3
InChIKeyRINMCCZCYKOEFT-UHFFFAOYSA-N
MW484.67 g/mol
LogP5.82
Rot. Bonds8

About [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone

[4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone (PubChem CID 23850112) has the molecular formula C29H32N4OS and a molecular weight of 484.67 g/mol. Its IUPAC name is [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone
PubChem CID23850112
Molecular FormulaC29H32N4OS
Molecular Weight484.67 g/mol
Exact Mass484.23
IUPAC Name[4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone
SMILESCCCCN(Cc1ccc(C(=O)N2CCNCC2)cc1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C29H32N4OS/c1-2-3-16-33(20-22-8-10-24(11-9-22)28(34)32-17-14-30-15-18-32)29-31-27(21-35-29)26-13-12-23-6-4-5-7-25(23)19-26/h4-13,19,21,30H,2-3,14-18,20H2,1H3
InChIKeyRINMCCZCYKOEFT-UHFFFAOYSA-N
XLogP5.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[4-[[(2,3-dimethoxyphenyl)methyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]-piperazin-1-ylmethanone
CID 23994532
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
3-[[4-[[butyl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid
CID 11648433
2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoyl]amino]acetic acid
CID 58675101
3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-(thiophen-2-ylmethyl)amino]propanoic acid
CID 59520167
4-[[butyl-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-(2-methylpropyl)benzamide
CID 11546915
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
3-[[4-[[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-propylamino]methyl]benzoyl]amino]propanoic acid
CID 58675021
(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone
CID 70289039
1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26174874
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 67146644
2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 70031085

Frequently Asked Questions

What is the IUPAC name of [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone (CID 23850112) is [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone is CCCCN(Cc1ccc(C(=O)N2CCNCC2)cc1)c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is RINMCCZCYKOEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4OS/c1-2-3-16-33(20-22-8-10-24(11-9-22)28(34)32-17-14-30-15-18-32)29-31-27(21-35-29)26-13-12-23-6-4-5-7-25(23)19-26/h4-13,19,21,30H,2-3,14-18,20H2,1H3.
What are the key properties of [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone?
[4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 484.67 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[butyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 23850112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).