1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea

C12H19N3OS — CID 56823192

IUPAC1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCc1nc(CCNC(=O)NC2CC2)sc1C
InChIInChI=1S/C12H19N3OS/c1-3-10-8(2)17-11(15-10)6-7-13-12(16)14-9-4-5-9/h9H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyZVGKQHCQGWIDSE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.02
Rot. Bonds5

About 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 56823192) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID56823192
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCc1nc(CCNC(=O)NC2CC2)sc1C
InChIInChI=1S/C12H19N3OS/c1-3-10-8(2)17-11(15-10)6-7-13-12(16)14-9-4-5-9/h9H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyZVGKQHCQGWIDSE-UHFFFAOYSA-N
XLogP2.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 56823192) is 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea is CCc1nc(CCNC(=O)NC2CC2)sc1C.
What is the InChIKey of 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is ZVGKQHCQGWIDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-10-8(2)17-11(15-10)6-7-13-12(16)14-9-4-5-9/h9H,3-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 253.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 56823192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).