2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C12H13F3N6OS2 — CID 78866515

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H13F3N6OS2/c13-12(14,15)8-5-23-10(16-8)17-9(22)6-24-11-18-19-20-21(11)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,16,17,22)
InChIKeyBQNKONSHDJOSLE-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.99
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78866515) has the molecular formula C12H13F3N6OS2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78866515
Molecular FormulaC12H13F3N6OS2
Molecular Weight378.41 g/mol
Exact Mass378.05
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H13F3N6OS2/c13-12(14,15)8-5-23-10(16-8)17-9(22)6-24-11-18-19-20-21(11)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,16,17,22)
InChIKeyBQNKONSHDJOSLE-UHFFFAOYSA-N
XLogP2.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 55953871
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9465663
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094013
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 51244889
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 31813598
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 18098917

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78866515) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is O=C(CSc1nnnn1C1CCCC1)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BQNKONSHDJOSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6OS2/c13-12(14,15)8-5-23-10(16-8)17-9(22)6-24-11-18-19-20-21(11)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,16,17,22).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 378.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78866515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).