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

C13H10N4OS2 — CID 62787701

IUPAC2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(-c3nccs3)cc2)cs1
InChIInChI=1S/C13H10N4OS2/c14-13-17-10(7-20-13)11(18)16-9-3-1-8(2-4-9)12-15-5-6-19-12/h1-7H,(H2,14,17)(H,16,18)
InChIKeyPXAUGSBUNSJNRF-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.10
Rot. Bonds3

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

2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787701) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62787701
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC Name2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(-c3nccs3)cc2)cs1
InChIInChI=1S/C13H10N4OS2/c14-13-17-10(7-20-13)11(18)16-9-3-1-8(2-4-9)12-15-5-6-19-12/h1-7H,(H2,14,17)(H,16,18)
InChIKeyPXAUGSBUNSJNRF-UHFFFAOYSA-N
XLogP3.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62786999
2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788932
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62788038
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
CID 55823361

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 62787701) is 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(-c3nccs3)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PXAUGSBUNSJNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c14-13-17-10(7-20-13)11(18)16-9-3-1-8(2-4-9)12-15-5-6-19-12/h1-7H,(H2,14,17)(H,16,18).
What are the key properties of 2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 3.10, 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-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).