N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C14H11N3O2S2 — CID 32868562

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H11N3O2S2/c18-13(16-14-15-10(7-21-14)8-3-4-8)9-6-11(19-17-9)12-2-1-5-20-12/h1-2,5-8H,3-4H2,(H,15,16,18)
InChIKeyPHRPGMMRWZWHAQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.99
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 32868562) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID32868562
Molecular FormulaC14H11N3O2S2
Molecular Weight317.39 g/mol
Exact Mass317.03
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H11N3O2S2/c18-13(16-14-15-10(7-21-14)8-3-4-8)9-6-11(19-17-9)12-2-1-5-20-12/h1-2,5-8H,3-4H2,(H,15,16,18)
InChIKeyPHRPGMMRWZWHAQ-UHFFFAOYSA-N
XLogP3.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 32869605
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62249664
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 32868562) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PHRPGMMRWZWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c18-13(16-14-15-10(7-21-14)8-3-4-8)9-6-11(19-17-9)12-2-1-5-20-12/h1-2,5-8H,3-4H2,(H,15,16,18).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 32868562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).