1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C12H17N5OS — CID 22559585

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCc1cc(NC(=O)Nc2ncc(C(C)C)s2)n(C)n1
InChIInChI=1S/C12H17N5OS/c1-7(2)9-6-13-12(19-9)15-11(18)14-10-5-8(3)16-17(10)4/h5-7H,1-4H3,(H2,13,14,15,18)
InChIKeyASHJTPNFJGHJST-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 22559585) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID22559585
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCc1cc(NC(=O)Nc2ncc(C(C)C)s2)n(C)n1
InChIInChI=1S/C12H17N5OS/c1-7(2)9-6-13-12(19-9)15-11(18)14-10-5-8(3)16-17(10)4/h5-7H,1-4H3,(H2,13,14,15,18)
InChIKeyASHJTPNFJGHJST-UHFFFAOYSA-N
XLogP2.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 22559585) is 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is Cc1cc(NC(=O)Nc2ncc(C(C)C)s2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is ASHJTPNFJGHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7(2)9-6-13-12(19-9)15-11(18)14-10-5-8(3)16-17(10)4/h5-7H,1-4H3,(H2,13,14,15,18).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 279.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).