2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C9H8ClN3S2 — CID 107125480

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1cnc(-c2nc3c(s2)CNCC3)s1
InChIInChI=1S/C9H8ClN3S2/c10-7-4-12-8(15-7)9-13-5-1-2-11-3-6(5)14-9/h4,11H,1-3H2
InChIKeyCVFADATYZXLIHB-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.57
Rot. Bonds1

About 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 107125480) has the molecular formula C9H8ClN3S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID107125480
Molecular FormulaC9H8ClN3S2
Molecular Weight257.77 g/mol
Exact Mass256.98
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1cnc(-c2nc3c(s2)CNCC3)s1
InChIInChI=1S/C9H8ClN3S2/c10-7-4-12-8(15-7)9-13-5-1-2-11-3-6(5)14-9/h4,11H,1-3H2
InChIKeyCVFADATYZXLIHB-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 107125480) is 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Clc1cnc(-c2nc3c(s2)CNCC3)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is CVFADATYZXLIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S2/c10-7-4-12-8(15-7)9-13-5-1-2-11-3-6(5)14-9/h4,11H,1-3H2.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 257.77 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 107125480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).