3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea

C14H20ClN3OS — CID 11220735

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C14H20ClN3OS/c15-12-9-16-13(20-12)17-14(19)18(10-5-1-2-6-10)11-7-3-4-8-11/h9-11H,1-8H2,(H,16,17,19)
InChIKeyPUNGGLOBQNMLIY-UHFFFAOYSA-N
MW313.85 g/mol
LogP4.52
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea

3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea (PubChem CID 11220735) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea
PubChem CID11220735
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C14H20ClN3OS/c15-12-9-16-13(20-12)17-14(19)18(10-5-1-2-6-10)11-7-3-4-8-11/h9-11H,1-8H2,(H,16,17,19)
InChIKeyPUNGGLOBQNMLIY-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea (CID 11220735) is 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea is O=C(Nc1ncc(Cl)s1)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea?
The InChIKey is PUNGGLOBQNMLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c15-12-9-16-13(20-12)17-14(19)18(10-5-1-2-6-10)11-7-3-4-8-11/h9-11H,1-8H2,(H,16,17,19).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea?
3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea has a molecular weight of 313.85 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea is sourced from PubChem (CID 11220735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).