N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C18H15N3O3S — CID 36817379

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H15N3O3S/c22-16(11-3-4-11)19-12-5-7-13(8-6-12)20-17(23)14-10-25-18(21-14)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,19,22)(H,20,23)
InChIKeyGWRIZERMNOUSJO-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.00
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 36817379) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID36817379
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H15N3O3S/c22-16(11-3-4-11)19-12-5-7-13(8-6-12)20-17(23)14-10-25-18(21-14)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,19,22)(H,20,23)
InChIKeyGWRIZERMNOUSJO-UHFFFAOYSA-N
XLogP4.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 55804728
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 32869605
N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 36744455
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
N-(2-cyclopentyloxyphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52656400
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
2-(furan-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 47045926
2-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 78927834
2-(furan-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36808320

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 36817379) is N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2ccco2)n1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GWRIZERMNOUSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-16(11-3-4-11)19-12-5-7-13(8-6-12)20-17(23)14-10-25-18(21-14)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,19,22)(H,20,23).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36817379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).