N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C16H17FN6OS2 — CID 1449791

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2nnnn2-c2cccc(F)c2)n1
InChIInChI=1S/C16H17FN6OS2/c1-16(2,3)12-8-25-14(18-12)19-13(24)9-26-15-20-21-22-23(15)11-6-4-5-10(17)7-11/h4-8H,9H2,1-3H3,(H,18,19,24)
InChIKeyQDKZMXZMLSOKDB-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.29
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1449791) has the molecular formula C16H17FN6OS2 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1449791
Molecular FormulaC16H17FN6OS2
Molecular Weight392.49 g/mol
Exact Mass392.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2nnnn2-c2cccc(F)c2)n1
InChIInChI=1S/C16H17FN6OS2/c1-16(2,3)12-8-25-14(18-12)19-13(24)9-26-15-20-21-22-23(15)11-6-4-5-10(17)7-11/h4-8H,9H2,1-3H3,(H,18,19,24)
InChIKeyQDKZMXZMLSOKDB-UHFFFAOYSA-N
XLogP3.29
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)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

N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8002425
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16551577
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide
CID 7563038
2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 17407700
propan-2-yl 4-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 7563027
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46677059
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2037593
[(1S)-2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7562998
N-(9-ethylcarbazol-3-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 44825224

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1449791) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is CC(C)(C)c1csc(NC(=O)CSc2nnnn2-c2cccc(F)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is QDKZMXZMLSOKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6OS2/c1-16(2,3)12-8-25-14(18-12)19-13(24)9-26-15-20-21-22-23(15)11-6-4-5-10(17)7-11/h4-8H,9H2,1-3H3,(H,18,19,24).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 392.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1449791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).