1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea

C8H13N3OS — CID 23548382

IUPAC1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCC(C)NC(=O)NCc1cscn1
InChIInChI=1S/C8H13N3OS/c1-6(2)11-8(12)9-3-7-4-13-5-10-7/h4-6H,3H2,1-2H3,(H2,9,11,12)
InChIKeyFLZILRUKPDBRRI-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.35
Rot. Bonds3

About 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea

1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 23548382) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID23548382
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCC(C)NC(=O)NCc1cscn1
InChIInChI=1S/C8H13N3OS/c1-6(2)11-8(12)9-3-7-4-13-5-10-7/h4-6H,3H2,1-2H3,(H2,9,11,12)
InChIKeyFLZILRUKPDBRRI-UHFFFAOYSA-N
XLogP1.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea (CID 23548382) is 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea is CC(C)NC(=O)NCc1cscn1.
What is the InChIKey of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is FLZILRUKPDBRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6(2)11-8(12)9-3-7-4-13-5-10-7/h4-6H,3H2,1-2H3,(H2,9,11,12).
What are the key properties of 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 199.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 23548382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).