N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide

C25H36N4O3S — CID 23653765

IUPACN-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(C4CCOCC4)CC3)n2)c1
InChIInChI=1S/C25H36N4O3S/c1-3-5-6-19-7-8-23(32-4-2)21(17-19)22-18-33-24(26-22)27-25(30)29-13-11-28(12-14-29)20-9-15-31-16-10-20/h7-8,17-18,20H,3-6,9-16H2,1-2H3,(H,26,27,30)
InChIKeyUBJYXHKWAYYSNZ-UHFFFAOYSA-N
MW472.66 g/mol
LogP4.88
Rot. Bonds8

About N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide

N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 23653765) has the molecular formula C25H36N4O3S and a molecular weight of 472.66 g/mol. Its IUPAC name is N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID23653765
Molecular FormulaC25H36N4O3S
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC NameN-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(C4CCOCC4)CC3)n2)c1
InChIInChI=1S/C25H36N4O3S/c1-3-5-6-19-7-8-23(32-4-2)21(17-19)22-18-33-24(26-22)27-25(30)29-13-11-28(12-14-29)20-9-15-31-16-10-20/h7-8,17-18,20H,3-6,9-16H2,1-2H3,(H,26,27,30)
InChIKeyUBJYXHKWAYYSNZ-UHFFFAOYSA-N
XLogP4.88
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 59421414
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidine-1-carbonyl]benzamide
CID 87282213
N-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylacetyl)-1,4-diazepane-1-carboxamide
CID 59421411
N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 59421381
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide
CID 141106168
(3S)-3-[[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 87679769
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-piperidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclopentyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide;N-[5-(2-methoxy-5-propoxyphenyl)-3H-pyrrol-2-yl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]-4-(2-piperidin-1-ylethyl)piperazine-1-carboxamide;bis(N-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide)
CID 159584101
4-[4-[(3S)-3-acetyl-2-aminopyrrolidin-1-yl]piperidine-1-carbonyl]-N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 142755620
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17404838
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-oxopropyl)benzamide
CID 87282880
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17404839
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide (CID 23653765) is N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide is CCCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(C4CCOCC4)CC3)n2)c1.
What is the InChIKey of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is UBJYXHKWAYYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3S/c1-3-5-6-19-7-8-23(32-4-2)21(17-19)22-18-33-24(26-22)27-25(30)29-13-11-28(12-14-29)20-9-15-31-16-10-20/h7-8,17-18,20H,3-6,9-16H2,1-2H3,(H,26,27,30).
What are the key properties of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide?
N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 472.66 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 23653765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).