4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide

C21H28ClN3O3S — CID 3858032

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-21(2,3)18-12-29-19(24-18)13-6-8-25(9-7-13)20(26)23-15-10-14(22)16(27-4)11-17(15)28-5/h10-13H,6-9H2,1-5H3,(H,23,26)
InChIKeyZGLICTPZWJXRIM-UHFFFAOYSA-N
MW437.99 g/mol
LogP5.52
Rot. Bonds4

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 3858032) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID3858032
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-21(2,3)18-12-29-19(24-18)13-6-8-25(9-7-13)20(26)23-15-10-14(22)16(27-4)11-17(15)28-5/h10-13H,6-9H2,1-5H3,(H,23,26)
InChIKeyZGLICTPZWJXRIM-UHFFFAOYSA-N
XLogP5.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.99
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 3783475
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methyl-3-nitrophenyl)piperidine-1-carboxamide
CID 3865155
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51945098
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699057
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484
4-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 91515096
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide (CID 3858032) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide is COc1cc(OC)c(NC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1Cl.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ZGLICTPZWJXRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-21(2,3)18-12-29-19(24-18)13-6-8-25(9-7-13)20(26)23-15-10-14(22)16(27-4)11-17(15)28-5/h10-13H,6-9H2,1-5H3,(H,23,26).
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 437.99 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3858032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).