N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide

C14H12N4O2S — CID 103118181

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nn(C)c3ccccc23)n1
InChIInChI=1S/C14H12N4O2S/c1-8(19)10-7-21-14(15-10)16-13(20)12-9-5-3-4-6-11(9)18(2)17-12/h3-7H,1-2H3,(H,15,16,20)
InChIKeyCVQZSTGJBCJMPB-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.48
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide (PubChem CID 103118181) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
PubChem CID103118181
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nn(C)c3ccccc23)n1
InChIInChI=1S/C14H12N4O2S/c1-8(19)10-7-21-14(15-10)16-13(20)12-9-5-3-4-6-11(9)18(2)17-12/h3-7H,1-2H3,(H,15,16,20)
InChIKeyCVQZSTGJBCJMPB-UHFFFAOYSA-N
XLogP2.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 17428702
1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 103119513
N-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylindazole-3-carboxamide
CID 166321033
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 78913584
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121131
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 113235351
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
N-(4-acetyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 60716951

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide (CID 103118181) is N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide is CC(=O)c1csc(NC(=O)c2nn(C)c3ccccc23)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide?
The InChIKey is CVQZSTGJBCJMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8(19)10-7-21-14(15-10)16-13(20)12-9-5-3-4-6-11(9)18(2)17-12/h3-7H,1-2H3,(H,15,16,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103118181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).