1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C12H17N5OS — CID 51084067

IUPAC1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(C)Cc2cnn(C)c2)cs1
InChIInChI=1S/C12H17N5OS/c1-9-15-11(8-19-9)5-13-12(18)16(2)6-10-4-14-17(3)7-10/h4,7-8H,5-6H2,1-3H3,(H,13,18)
InChIKeyNBNRNNDIRNPGDL-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 51084067) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID51084067
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(C)Cc2cnn(C)c2)cs1
InChIInChI=1S/C12H17N5OS/c1-9-15-11(8-19-9)5-13-12(18)16(2)6-10-4-14-17(3)7-10/h4,7-8H,5-6H2,1-3H3,(H,13,18)
InChIKeyNBNRNNDIRNPGDL-UHFFFAOYSA-N
XLogP1.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 51084067) is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)N(C)Cc2cnn(C)c2)cs1.
What is the InChIKey of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is NBNRNNDIRNPGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-15-11(8-19-9)5-13-12(18)16(2)6-10-4-14-17(3)7-10/h4,7-8H,5-6H2,1-3H3,(H,13,18).
What are the key properties of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 279.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 51084067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).