1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea

C13H13N5OS — CID 74763951

IUPAC1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
SMILESCc1c2ccc(NC(=O)Nc3cscn3)cc2nn1C
InChIInChI=1S/C13H13N5OS/c1-8-10-4-3-9(5-11(10)17-18(8)2)15-13(19)16-12-6-20-7-14-12/h3-7H,1-2H3,(H2,15,16,19)
InChIKeyDKJSNBQLIRNTBE-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.98
Rot. Bonds2

About 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea

1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea (PubChem CID 74763951) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
PubChem CID74763951
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
SMILESCc1c2ccc(NC(=O)Nc3cscn3)cc2nn1C
InChIInChI=1S/C13H13N5OS/c1-8-10-4-3-9(5-11(10)17-18(8)2)15-13(19)16-12-6-20-7-14-12/h3-7H,1-2H3,(H2,15,16,19)
InChIKeyDKJSNBQLIRNTBE-UHFFFAOYSA-N
XLogP2.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
CID 74763932
1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 74763930
1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea
CID 141356343
N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 74763948
4-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 108813242
1-[(4-methylphenyl)methyl]-3-[1-(1,3-thiazol-4-yl)benzimidazol-5-yl]urea
CID 69021098
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid
CID 84726656
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
2,2-dimethyl-N-(1,3-thiazol-4-yl)propanamide
CID 146397984
1-(1-methylbenzotriazol-5-yl)-3-(4-methylphenyl)urea
CID 894194
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea?
The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea (CID 74763951) is 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea is Cc1c2ccc(NC(=O)Nc3cscn3)cc2nn1C.
What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea?
The InChIKey is DKJSNBQLIRNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-10-4-3-9(5-11(10)17-18(8)2)15-13(19)16-12-6-20-7-14-12/h3-7H,1-2H3,(H2,15,16,19).
What are the key properties of 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea?
1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea has a molecular weight of 287.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea is sourced from PubChem (CID 74763951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).