1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea

C12H18N4OS — CID 71778987

IUPAC1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESO=C(Nc1nc2c(s1)CNCC2)NC1CCCC1
InChIInChI=1S/C12H18N4OS/c17-11(14-8-3-1-2-4-8)16-12-15-9-5-6-13-7-10(9)18-12/h8,13H,1-7H2,(H2,14,15,16,17)
InChIKeyZVVVOGKADKPYNX-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.85
Rot. Bonds2

About 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea

1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (PubChem CID 71778987) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
PubChem CID71778987
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESO=C(Nc1nc2c(s1)CNCC2)NC1CCCC1
InChIInChI=1S/C12H18N4OS/c17-11(14-8-3-1-2-4-8)16-12-15-9-5-6-13-7-10(9)18-12/h8,13H,1-7H2,(H2,14,15,16,17)
InChIKeyZVVVOGKADKPYNX-UHFFFAOYSA-N
XLogP1.85
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (CID 71778987) is 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is O=C(Nc1nc2c(s1)CNCC2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The InChIKey is ZVVVOGKADKPYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-11(14-8-3-1-2-4-8)16-12-15-9-5-6-13-7-10(9)18-12/h8,13H,1-7H2,(H2,14,15,16,17).
What are the key properties of 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea has a molecular weight of 266.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is sourced from PubChem (CID 71778987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).