N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

C18H12BrClN6OS2 — CID 3939996

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H12BrClN6OS2/c19-12-3-1-11(2-4-12)15-9-28-17(21-15)22-16(27)10-29-18-23-24-25-26(18)14-7-5-13(20)6-8-14/h1-9H,10H2,(H,21,22,27)
InChIKeyMCDGVEUDTNXGOS-UHFFFAOYSA-N
MW507.83 g/mol
LogP4.93
Rot. Bonds6

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 3939996) has the molecular formula C18H12BrClN6OS2 and a molecular weight of 507.83 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID3939996
Molecular FormulaC18H12BrClN6OS2
Molecular Weight507.83 g/mol
Exact Mass505.94
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H12BrClN6OS2/c19-12-3-1-11(2-4-12)15-9-28-17(21-15)22-16(27)10-29-18-23-24-25-26(18)14-7-5-13(20)6-8-14/h1-9H,10H2,(H,21,22,27)
InChIKeyMCDGVEUDTNXGOS-UHFFFAOYSA-N
XLogP4.93
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16608830
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23889543
2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 17301415
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide
CID 23765185
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 124554451
N-(4-bromo-2-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2610371
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19715656
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19715655
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716034
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716431

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 3939996) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is MCDGVEUDTNXGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN6OS2/c19-12-3-1-11(2-4-12)15-9-28-17(21-15)22-16(27)10-29-18-23-24-25-26(18)14-7-5-13(20)6-8-14/h1-9H,10H2,(H,21,22,27).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 507.83 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 3939996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).