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

C13H19N5OS — CID 75514312

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C13H19N5OS/c1-7(2)5-10-6-14-13(20-10)16-12(19)15-11-8(3)17-18-9(11)4/h6-7H,5H2,1-4H3,(H,17,18)(H2,14,15,16,19)
InChIKeyPQIRKLCSNHDEMD-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.33
Rot. Bonds4

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

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (PubChem CID 75514312) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
PubChem CID75514312
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C13H19N5OS/c1-7(2)5-10-6-14-13(20-10)16-12(19)15-11-8(3)17-18-9(11)4/h6-7H,5H2,1-4H3,(H,17,18)(H2,14,15,16,19)
InChIKeyPQIRKLCSNHDEMD-UHFFFAOYSA-N
XLogP3.33
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (CID 75514312) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is Cc1n[nH]c(C)c1NC(=O)Nc1ncc(CC(C)C)s1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is PQIRKLCSNHDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-7(2)5-10-6-14-13(20-10)16-12(19)15-11-8(3)17-18-9(11)4/h6-7H,5H2,1-4H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 293.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 75514312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).