2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole

C11H10ClNS2 — CID 11021483

IUPAC2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
SMILESClCc1cnc(SCc2ccccc2)s1
InChIInChI=1S/C11H10ClNS2/c12-6-10-7-13-11(15-10)14-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2
InChIKeyHCKYRLWYBRUAHE-UHFFFAOYSA-N
MW255.80 g/mol
LogP4.17
Rot. Bonds4

About 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole

2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole (PubChem CID 11021483) has the molecular formula C11H10ClNS2 and a molecular weight of 255.80 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
PubChem CID11021483
Molecular FormulaC11H10ClNS2
Molecular Weight255.80 g/mol
Exact Mass254.99
IUPAC Name2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
SMILESClCc1cnc(SCc2ccccc2)s1
InChIInChI=1S/C11H10ClNS2/c12-6-10-7-13-11(15-10)14-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2
InChIKeyHCKYRLWYBRUAHE-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
CID 15143169
5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole
CID 1480673
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
CID 117097310
(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80693138
2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 2746820
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
5-(bromomethyl)-2-(3-phenylprop-2-enylsulfanyl)-1,3-thiazole
CID 131870773
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
2-benzylsulfanyl-5-chloro-1H-imidazole
CID 141002774
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole (CID 11021483) is 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole is ClCc1cnc(SCc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole?
The InChIKey is HCKYRLWYBRUAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS2/c12-6-10-7-13-11(15-10)14-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2.
What are the key properties of 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole?
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole has a molecular weight of 255.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 11021483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).