2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

C16H16Cl2N6OS2 — CID 35189801

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H16Cl2N6OS2/c1-16(2,3)24-15(21-22-23-24)27-8-13(25)20-14-19-12(7-26-14)9-4-5-10(17)11(18)6-9/h4-7H,8H2,1-3H3,(H,19,20,25)
InChIKeyCFCNVJBGBZEMBH-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.59
Rot. Bonds5

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 35189801) has the molecular formula C16H16Cl2N6OS2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID35189801
Molecular FormulaC16H16Cl2N6OS2
Molecular Weight443.39 g/mol
Exact Mass442.02
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H16Cl2N6OS2/c1-16(2,3)24-15(21-22-23-24)27-8-13(25)20-14-19-12(7-26-14)9-4-5-10(17)11(18)6-9/h4-7H,8H2,1-3H3,(H,19,20,25)
InChIKeyCFCNVJBGBZEMBH-UHFFFAOYSA-N
XLogP4.59
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30110125
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729082
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35790727
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16608830
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3939996
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19717015
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 55997540
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4244031
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-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 35189801) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)n1nnnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CFCNVJBGBZEMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6OS2/c1-16(2,3)24-15(21-22-23-24)27-8-13(25)20-14-19-12(7-26-14)9-4-5-10(17)11(18)6-9/h4-7H,8H2,1-3H3,(H,19,20,25).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 443.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 35189801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).