4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole

C17H12ClN5S — CID 95560849

IUPAC4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)sc2Cc2nn[nH]n2)cc1
InChIInChI=1S/C17H12ClN5S/c18-13-8-6-11(7-9-13)16-14(10-15-20-22-23-21-15)24-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21,22,23)
InChIKeyFDCPQBCMKZQYIP-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.23
Rot. Bonds4

About 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole

4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (PubChem CID 95560849) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
PubChem CID95560849
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC Name4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)sc2Cc2nn[nH]n2)cc1
InChIInChI=1S/C17H12ClN5S/c18-13-8-6-11(7-9-13)16-14(10-15-20-22-23-21-15)24-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21,22,23)
InChIKeyFDCPQBCMKZQYIP-UHFFFAOYSA-N
XLogP4.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-(4-chlorophenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 3043282
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 3789824
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine
CID 3783256
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole (CID 95560849) is 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is Clc1ccc(-c2nc(-c3ccccc3)sc2Cc2nn[nH]n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is FDCPQBCMKZQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c18-13-8-6-11(7-9-13)16-14(10-15-20-22-23-21-15)24-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21,22,23).
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 353.84 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 95560849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).