2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

C18H14ClN5OS2 — CID 27159911

IUPAC2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccccc1-n1nnnc1SCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN5OS2/c1-25-16-5-3-2-4-15(16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-6-8-13(19)9-7-12/h2-10H,11H2,1H3
InChIKeyFVCJCRVQZKVNMR-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.74
Rot. Bonds6

About 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 27159911) has the molecular formula C18H14ClN5OS2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID27159911
Molecular FormulaC18H14ClN5OS2
Molecular Weight415.93 g/mol
Exact Mass415.03
IUPAC Name2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccccc1-n1nnnc1SCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN5OS2/c1-25-16-5-3-2-4-15(16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-6-8-13(19)9-7-12/h2-10H,11H2,1H3
InChIKeyFVCJCRVQZKVNMR-UHFFFAOYSA-N
XLogP4.74
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 4793112
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 9330004
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 26643672
3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 17418386
4-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 7474236
4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7674118
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8684313
5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
CID 2614031
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 3537880
N-(3,4-dimethylphenyl)-N-[4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 33093562

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 27159911) is 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is COc1ccccc1-n1nnnc1SCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is FVCJCRVQZKVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS2/c1-25-16-5-3-2-4-15(16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-6-8-13(19)9-7-12/h2-10H,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 415.93 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 27159911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).