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

C18H14ClN5OS2 — CID 4793112

IUPAC4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2nnnn2-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14ClN5OS2/c1-25-16-5-3-2-4-15(16)17-20-13(10-26-17)11-27-18-21-22-23-24(18)14-8-6-12(19)7-9-14/h2-10H,11H2,1H3
InChIKeyNGHLORWJPOPAPN-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.74
Rot. Bonds6

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

4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 4793112) has the molecular formula C18H14ClN5OS2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID4793112
Molecular FormulaC18H14ClN5OS2
Molecular Weight415.93 g/mol
Exact Mass415.03
IUPAC Name4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2nnnn2-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14ClN5OS2/c1-25-16-5-3-2-4-15(16)17-20-13(10-26-17)11-27-18-21-22-23-24(18)14-8-6-12(19)7-9-14/h2-10H,11H2,1H3
InChIKeyNGHLORWJPOPAPN-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

2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 9330004
2-(2,3-dimethoxyphenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 17409525
2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 27159911
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8684313
4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841
4-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 7474236
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
N-[3-[5-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 30821832
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 55318268

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole (CID 4793112) is 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1nc(CSc2nnnn2-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is NGHLORWJPOPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS2/c1-25-16-5-3-2-4-15(16)17-20-13(10-26-17)11-27-18-21-22-23-24(18)14-8-6-12(19)7-9-14/h2-10H,11H2,1H3.
What are the key properties of 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-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 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 4793112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).