N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide

C20H27N3O2S — CID 119686519

IUPACN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
SMILESCCCCc1ccc(-c2csc(NC(=O)C3(OC)CCNCC3)n2)cc1
InChIInChI=1S/C20H27N3O2S/c1-3-4-5-15-6-8-16(9-7-15)17-14-26-19(22-17)23-18(24)20(25-2)10-12-21-13-11-20/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,22,23,24)
InChIKeyHCVCYHAVDBBAAA-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.86
Rot. Bonds7

About N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide

N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119686519) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119686519
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
SMILESCCCCc1ccc(-c2csc(NC(=O)C3(OC)CCNCC3)n2)cc1
InChIInChI=1S/C20H27N3O2S/c1-3-4-5-15-6-8-16(9-7-15)17-14-26-19(22-17)23-18(24)20(25-2)10-12-21-13-11-20/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,22,23,24)
InChIKeyHCVCYHAVDBBAAA-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 119694020
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119677685
2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349285
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 167947499
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542
(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2369609
4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 119778960
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616823
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide (CID 119686519) is N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide is CCCCc1ccc(-c2csc(NC(=O)C3(OC)CCNCC3)n2)cc1.
What is the InChIKey of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is HCVCYHAVDBBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-4-5-15-6-8-16(9-7-15)17-14-26-19(22-17)23-18(24)20(25-2)10-12-21-13-11-20/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119686519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).