5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole

C10H8ClNS2 — CID 143886123

IUPAC5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole
SMILESClc1cccc(CSc2cncs2)c1
InChIInChI=1S/C10H8ClNS2/c11-9-3-1-2-8(4-9)6-13-10-5-12-7-14-10/h1-5,7H,6H2
InChIKeyOJGKOJBGLVJZKM-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.09
Rot. Bonds3

About 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole

5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole (PubChem CID 143886123) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole
PubChem CID143886123
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole
SMILESClc1cccc(CSc2cncs2)c1
InChIInChI=1S/C10H8ClNS2/c11-9-3-1-2-8(4-9)6-13-10-5-12-7-14-10/h1-5,7H,6H2
InChIKeyOJGKOJBGLVJZKM-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[[(3-chlorophenyl)methyldisulfanyl]methyl]benzene
CID 45377271
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565
1-chloro-3-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91655656
[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384743
1-chloro-3-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4176752
3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 167908410
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866
2-[(3-chlorophenyl)methylsulfanyl]-1-methylpyridin-1-ium
CID 13434888
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3668980
2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645258

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole?
The IUPAC name of 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole (CID 143886123) is 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole is Clc1cccc(CSc2cncs2)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole?
The InChIKey is OJGKOJBGLVJZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c11-9-3-1-2-8(4-9)6-13-10-5-12-7-14-10/h1-5,7H,6H2.
What are the key properties of 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole?
5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole has a molecular weight of 241.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 143886123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).