N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide

C13H11N5O2S — CID 41470891

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1
InChIInChI=1S/C13H11N5O2S/c14-10(19)5-7-6-21-13(15-7)16-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-4,6H,5H2,(H2,14,19)(H,17,18)(H,15,16,20)
InChIKeyPEAAPKYFTMXNKV-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.30
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide (PubChem CID 41470891) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
PubChem CID41470891
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1
InChIInChI=1S/C13H11N5O2S/c14-10(19)5-7-6-21-13(15-7)16-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-4,6H,5H2,(H2,14,19)(H,17,18)(H,15,16,20)
InChIKeyPEAAPKYFTMXNKV-UHFFFAOYSA-N
XLogP1.30
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2118565
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
N-(5-benzyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 17501441
5-phenyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 14617322
N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 8124349
1H-Pyrazole-3-carboxamide, 5-(4-methylphenyl)-N-2-thiazolyl-
CID 3076201
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-[(1H-indazole-3-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 3804759
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
CID 56649139
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 56931181
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 56931182
3-(4-fluorophenyl)-N-(5-(methylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide
CID 71788238
ethyl 2-(1H-indazole-3-carboxamido)-5,6-dihydro-4H-cyclopenta[d]thiazole-4-carboxylate
CID 49677418

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide (CID 41470891) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide is NC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is PEAAPKYFTMXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c14-10(19)5-7-6-21-13(15-7)16-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-4,6H,5H2,(H2,14,19)(H,17,18)(H,15,16,20).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 41470891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).