5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole

C11H10ClNS2 — CID 1480673

IUPAC5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(CSCc2ccccc2)s1
InChIInChI=1S/C11H10ClNS2/c12-11-13-6-10(15-11)8-14-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyFROCBPZHYYTNNG-UHFFFAOYSA-N
MW255.80 g/mol
LogP4.23
Rot. Bonds4

About 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole

5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole (PubChem CID 1480673) has the molecular formula C11H10ClNS2 and a molecular weight of 255.80 g/mol. Its IUPAC name is 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole
PubChem CID1480673
Molecular FormulaC11H10ClNS2
Molecular Weight255.80 g/mol
Exact Mass254.99
IUPAC Name5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(CSCc2ccccc2)s1
InChIInChI=1S/C11H10ClNS2/c12-11-13-6-10(15-11)8-14-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyFROCBPZHYYTNNG-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole?
The IUPAC name of 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole (CID 1480673) is 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole is Clc1ncc(CSCc2ccccc2)s1.
What is the InChIKey of 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole?
The InChIKey is FROCBPZHYYTNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS2/c12-11-13-6-10(15-11)8-14-7-9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole?
5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole has a molecular weight of 255.80 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 1480673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).