1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea

C12H17N3OS — CID 56723998

IUPAC1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea
SMILESO=C(Nc1nc2c(s1)CCC2)NC1CCCC1
InChIInChI=1S/C12H17N3OS/c16-11(13-8-4-1-2-5-8)15-12-14-9-6-3-7-10(9)17-12/h8H,1-7H2,(H2,13,14,15,16)
InChIKeyIUGJBLRMYXZGKZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.70
Rot. Bonds2

About 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea

1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea (PubChem CID 56723998) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea
PubChem CID56723998
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea
SMILESO=C(Nc1nc2c(s1)CCC2)NC1CCCC1
InChIInChI=1S/C12H17N3OS/c16-11(13-8-4-1-2-5-8)15-12-14-9-6-3-7-10(9)17-12/h8H,1-7H2,(H2,13,14,15,16)
InChIKeyIUGJBLRMYXZGKZ-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea (CID 56723998) is 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea is O=C(Nc1nc2c(s1)CCC2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea?
The InChIKey is IUGJBLRMYXZGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-11(13-8-4-1-2-5-8)15-12-14-9-6-3-7-10(9)17-12/h8H,1-7H2,(H2,13,14,15,16).
What are the key properties of 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea?
1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea has a molecular weight of 251.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)urea is sourced from PubChem (CID 56723998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).