2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide

C18H20N4O3S — CID 78869864

IUPAC2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)s1
InChIInChI=1S/C18H20N4O3S/c19-15(23)14-10-20-18(26-14)22-17(25)12-7-4-8-13(9-12)21-16(24)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H2,19,23)(H,21,24)(H,20,22,25)
InChIKeyXCEJLPBUIUJNRW-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.01
Rot. Bonds5

About 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide

2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78869864) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78869864
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)s1
InChIInChI=1S/C18H20N4O3S/c19-15(23)14-10-20-18(26-14)22-17(25)12-7-4-8-13(9-12)21-16(24)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H2,19,23)(H,21,24)(H,20,22,25)
InChIKeyXCEJLPBUIUJNRW-UHFFFAOYSA-N
XLogP3.01
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440451
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide (CID 78869864) is 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)s1.
What is the InChIKey of 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is XCEJLPBUIUJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c19-15(23)14-10-20-18(26-14)22-17(25)12-7-4-8-13(9-12)21-16(24)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H2,19,23)(H,21,24)(H,20,22,25).
What are the key properties of 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide?
2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78869864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).