1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C13H19N5OS — CID 47223734

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCc1nc(CCNC(=O)NC(C)Cn2cccn2)cs1
InChIInChI=1S/C13H19N5OS/c1-10(8-18-7-3-5-15-18)16-13(19)14-6-4-12-9-20-11(2)17-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,14,16,19)
InChIKeyJLWONVJNUQKSBG-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.58
Rot. Bonds6

About 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 47223734) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID47223734
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCc1nc(CCNC(=O)NC(C)Cn2cccn2)cs1
InChIInChI=1S/C13H19N5OS/c1-10(8-18-7-3-5-15-18)16-13(19)14-6-4-12-9-20-11(2)17-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,14,16,19)
InChIKeyJLWONVJNUQKSBG-UHFFFAOYSA-N
XLogP1.58
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 47223734) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is Cc1nc(CCNC(=O)NC(C)Cn2cccn2)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is JLWONVJNUQKSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-10(8-18-7-3-5-15-18)16-13(19)14-6-4-12-9-20-11(2)17-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,14,16,19).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 293.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 47223734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).