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

C13H11N5O2S — CID 62786999

IUPAC2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cs1
InChIInChI=1S/C13H11N5O2S/c14-13-16-10(6-21-13)12(20)15-8-3-1-7(2-4-8)9-5-11(19)18-17-9/h1-6H,(H2,14,16)(H,15,20)(H2,17,18,19)
InChIKeyRMUAXOGPMVMMSU-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.66
Rot. Bonds3

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

2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62786999) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62786999
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cs1
InChIInChI=1S/C13H11N5O2S/c14-13-16-10(6-21-13)12(20)15-8-3-1-7(2-4-8)9-5-11(19)18-17-9/h1-6H,(H2,14,16)(H,15,20)(H2,17,18,19)
InChIKeyRMUAXOGPMVMMSU-UHFFFAOYSA-N
XLogP1.66
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
3-bromo-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 60967049
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
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
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-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 62786999) is 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RMUAXOGPMVMMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c14-13-16-10(6-21-13)12(20)15-8-3-1-7(2-4-8)9-5-11(19)18-17-9/h1-6H,(H2,14,16)(H,15,20)(H2,17,18,19).
What are the key properties of 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62786999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).