N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C20H25N3O4S — CID 16915314

IUPACN-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCC3CCCCC3)cs2)c1
InChIInChI=1S/C20H25N3O4S/c1-26-15-8-14(9-16(10-15)27-2)18(24)23-20-22-17(12-28-20)19(25)21-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyNKFMASDIACOENT-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.72
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 16915314) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID16915314
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCC3CCCCC3)cs2)c1
InChIInChI=1S/C20H25N3O4S/c1-26-15-8-14(9-16(10-15)27-2)18(24)23-20-22-17(12-28-20)19(25)21-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyNKFMASDIACOENT-UHFFFAOYSA-N
XLogP3.72
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915326
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
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-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915265
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 16915195

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 16915314) is N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCC3CCCCC3)cs2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is NKFMASDIACOENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-26-15-8-14(9-16(10-15)27-2)18(24)23-20-22-17(12-28-20)19(25)21-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).