1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C13H19N5O2S — CID 71992412

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)NCc2sc(C)nc2C)n1
InChIInChI=1S/C13H19N5O2S/c1-9-11(21-10(2)15-9)8-14-13(19)16-12-4-5-18(17-12)6-7-20-3/h4-5H,6-8H2,1-3H3,(H2,14,16,17,19)
InChIKeyDZSKGAAMOIWYND-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.92
Rot. Bonds6

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 71992412) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID71992412
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)NCc2sc(C)nc2C)n1
InChIInChI=1S/C13H19N5O2S/c1-9-11(21-10(2)15-9)8-14-13(19)16-12-4-5-18(17-12)6-7-20-3/h4-5H,6-8H2,1-3H3,(H2,14,16,17,19)
InChIKeyDZSKGAAMOIWYND-UHFFFAOYSA-N
XLogP1.92
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 71992412) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is COCCn1ccc(NC(=O)NCc2sc(C)nc2C)n1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is DZSKGAAMOIWYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-11(21-10(2)15-9)8-14-13(19)16-12-4-5-18(17-12)6-7-20-3/h4-5H,6-8H2,1-3H3,(H2,14,16,17,19).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 309.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71992412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).