1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

C19H22N4O5S — CID 16915326

IUPAC1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)c1
InChIInChI=1S/C19H22N4O5S/c1-27-13-7-12(8-14(9-13)28-2)17(25)22-19-21-15(10-29-19)18(26)23-5-3-11(4-6-23)16(20)24/h7-11H,3-6H2,1-2H3,(H2,20,24)(H,21,22,25)
InChIKeyYGIIGBHPTOEBMM-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 16915326) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID16915326
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)c1
InChIInChI=1S/C19H22N4O5S/c1-27-13-7-12(8-14(9-13)28-2)17(25)22-19-21-15(10-29-19)18(26)23-5-3-11(4-6-23)16(20)24/h7-11H,3-6H2,1-2H3,(H2,20,24)(H,21,22,25)
InChIKeyYGIIGBHPTOEBMM-UHFFFAOYSA-N
XLogP1.75
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 16915195
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915314
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16914901
3,5-dimethoxy-N-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]benzamide
CID 41226438
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 16915326) is 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)c1.
What is the InChIKey of 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is YGIIGBHPTOEBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-27-13-7-12(8-14(9-13)28-2)17(25)22-19-21-15(10-29-19)18(26)23-5-3-11(4-6-23)16(20)24/h7-11H,3-6H2,1-2H3,(H2,20,24)(H,21,22,25).
What are the key properties of 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 16915326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).