3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea

C14H23N3OS — CID 56900043

IUPAC3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea
SMILESCc1nc(C(C)N(C)C(=O)NC2CCCC2)c(C)s1
InChIInChI=1S/C14H23N3OS/c1-9(13-10(2)19-11(3)15-13)17(4)14(18)16-12-7-5-6-8-12/h9,12H,5-8H2,1-4H3,(H,16,18)
InChIKeyHQOPOPABUPGSJK-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.40
Rot. Bonds3

About 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea

3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea (PubChem CID 56900043) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea
PubChem CID56900043
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea
SMILESCc1nc(C(C)N(C)C(=O)NC2CCCC2)c(C)s1
InChIInChI=1S/C14H23N3OS/c1-9(13-10(2)19-11(3)15-13)17(4)14(18)16-12-7-5-6-8-12/h9,12H,5-8H2,1-4H3,(H,16,18)
InChIKeyHQOPOPABUPGSJK-UHFFFAOYSA-N
XLogP3.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea (CID 56900043) is 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea is Cc1nc(C(C)N(C)C(=O)NC2CCCC2)c(C)s1.
What is the InChIKey of 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea?
The InChIKey is HQOPOPABUPGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9(13-10(2)19-11(3)15-13)17(4)14(18)16-12-7-5-6-8-12/h9,12H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea?
3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea has a molecular weight of 281.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea is sourced from PubChem (CID 56900043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).