3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea

C17H21N5OS — CID 154839084

IUPAC3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea
SMILESCCc1nc(CN(C)C(=O)Nc2ccc3c(C)nn(C)c3c2)cs1
InChIInChI=1S/C17H21N5OS/c1-5-16-18-13(10-24-16)9-21(3)17(23)19-12-6-7-14-11(2)20-22(4)15(14)8-12/h6-8,10H,5,9H2,1-4H3,(H,19,23)
InChIKeyBZPNYDHHRHWDCC-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.56
Rot. Bonds4

About 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea

3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea (PubChem CID 154839084) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea
PubChem CID154839084
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea
SMILESCCc1nc(CN(C)C(=O)Nc2ccc3c(C)nn(C)c3c2)cs1
InChIInChI=1S/C17H21N5OS/c1-5-16-18-13(10-24-16)9-21(3)17(23)19-12-6-7-14-11(2)20-22(4)15(14)8-12/h6-8,10H,5,9H2,1-4H3,(H,19,23)
InChIKeyBZPNYDHHRHWDCC-UHFFFAOYSA-N
XLogP3.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea with MolForge

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Related Compounds

2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 18759069
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 51096623
3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea
CID 47852257
methyl 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856106
N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 134039427
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
CID 138036785
N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779571
N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86856078
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 47871223
3,4,5-triethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47871180
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide
CID 95033110

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea (CID 154839084) is 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea is CCc1nc(CN(C)C(=O)Nc2ccc3c(C)nn(C)c3c2)cs1.
What is the InChIKey of 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea?
The InChIKey is BZPNYDHHRHWDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-5-16-18-13(10-24-16)9-21(3)17(23)19-12-6-7-14-11(2)20-22(4)15(14)8-12/h6-8,10H,5,9H2,1-4H3,(H,19,23).
What are the key properties of 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea?
3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea has a molecular weight of 343.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindazol-6-yl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 154839084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).