2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

C13H10N4O2S — CID 62788932

IUPAC2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)cs1
InChIInChI=1S/C13H10N4O2S/c14-13-17-10(6-20-13)12(18)16-9-3-1-8(2-4-9)11-5-15-7-19-11/h1-7H,(H2,14,17)(H,16,18)
InChIKeyLNQMEJLIUGTGTE-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788932) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788932
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)cs1
InChIInChI=1S/C13H10N4O2S/c14-13-17-10(6-20-13)12(18)16-9-3-1-8(2-4-9)11-5-15-7-19-11/h1-7H,(H2,14,17)(H,16,18)
InChIKeyLNQMEJLIUGTGTE-UHFFFAOYSA-N
XLogP2.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62233090
3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 61216626
4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688151
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-(aminomethyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 66378031
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62786999
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 62788932) is 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LNQMEJLIUGTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-13-17-10(6-20-13)12(18)16-9-3-1-8(2-4-9)11-5-15-7-19-11/h1-7H,(H2,14,17)(H,16,18).
What are the key properties of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).