5-chloro-2-cyclopropyl-1,3-thiazole

C6H6ClNS — CID 117259109

IUPAC5-chloro-2-cyclopropyl-1,3-thiazole
SMILESClc1cnc(C2CC2)s1
InChIInChI=1S/C6H6ClNS/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2
InChIKeyMSRAAGZVLNNSMV-UHFFFAOYSA-N
MW159.64 g/mol
LogP2.67
Rot. Bonds1

About 5-chloro-2-cyclopropyl-1,3-thiazole

5-chloro-2-cyclopropyl-1,3-thiazole (PubChem CID 117259109) has the molecular formula C6H6ClNS and a molecular weight of 159.64 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-1,3-thiazole
PubChem CID117259109
Molecular FormulaC6H6ClNS
Molecular Weight159.64 g/mol
Exact Mass158.99
IUPAC Name5-chloro-2-cyclopropyl-1,3-thiazole
SMILESClc1cnc(C2CC2)s1
InChIInChI=1S/C6H6ClNS/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2
InChIKeyMSRAAGZVLNNSMV-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-cyclopropyl-1,3-thiazole (CID 117259109) is 5-chloro-2-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-cyclopropyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-cyclopropyl-1,3-thiazole is Clc1cnc(C2CC2)s1.
What is the InChIKey of 5-chloro-2-cyclopropyl-1,3-thiazole?
The InChIKey is MSRAAGZVLNNSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 5-chloro-2-cyclopropyl-1,3-thiazole?
5-chloro-2-cyclopropyl-1,3-thiazole has a molecular weight of 159.64 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 117259109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).