2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide

C18H19N3O4S — CID 46113982

IUPAC2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NC2CCCCC2)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19N3O4S/c22-16(11-6-7-14-15(8-11)25-10-24-14)21-18-20-13(9-26-18)17(23)19-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,19,23)(H,20,21,22)
InChIKeyAFSPAPVRBYHBKR-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.19
Rot. Bonds4

About 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide

2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide (PubChem CID 46113982) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide
PubChem CID46113982
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NC2CCCCC2)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19N3O4S/c22-16(11-6-7-14-15(8-11)25-10-24-14)21-18-20-13(9-26-18)17(23)19-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,19,23)(H,20,21,22)
InChIKeyAFSPAPVRBYHBKR-UHFFFAOYSA-N
XLogP3.19
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxole-5-carbonylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46114003
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46113981
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 64556664
N-[(1R,2R)-2-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014592
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 7191032
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555699
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide (CID 46113982) is 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NC2CCCCC2)cs1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide?
The InChIKey is AFSPAPVRBYHBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-16(11-6-7-14-15(8-11)25-10-24-14)21-18-20-13(9-26-18)17(23)19-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide?
2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxole-5-carbonylamino)-N-cyclohexyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).