3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea

C14H20ClN3OS2 — CID 11772353

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCC1)C1CCSCC1
InChIInChI=1S/C14H20ClN3OS2/c15-12-9-16-13(21-12)17-14(19)18(10-3-1-2-4-10)11-5-7-20-8-6-11/h9-11H,1-8H2,(H,16,17,19)
InChIKeyZVRMOXFFHKWWQY-UHFFFAOYSA-N
MW345.92 g/mol
LogP4.47
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea

3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea (PubChem CID 11772353) has the molecular formula C14H20ClN3OS2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
PubChem CID11772353
Molecular FormulaC14H20ClN3OS2
Molecular Weight345.92 g/mol
Exact Mass345.07
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCC1)C1CCSCC1
InChIInChI=1S/C14H20ClN3OS2/c15-12-9-16-13(21-12)17-14(19)18(10-3-1-2-4-10)11-5-7-20-8-6-11/h9-11H,1-8H2,(H,16,17,19)
InChIKeyZVRMOXFFHKWWQY-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea (CID 11772353) is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea is O=C(Nc1ncc(Cl)s1)N(C1CCCC1)C1CCSCC1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea?
The InChIKey is ZVRMOXFFHKWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS2/c15-12-9-16-13(21-12)17-14(19)18(10-3-1-2-4-10)11-5-7-20-8-6-11/h9-11H,1-8H2,(H,16,17,19).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea?
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea has a molecular weight of 345.92 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea is sourced from PubChem (CID 11772353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).