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

C13H9F3N6O2S2 — CID 26023726

IUPACN-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1nccs1
InChIInChI=1S/C13H9F3N6O2S2/c14-13(15,16)24-9-3-1-8(2-4-9)22-12(19-20-21-22)26-7-10(23)18-11-17-5-6-25-11/h1-6H,7H2,(H,17,18,23)
InChIKeyKBEJIXUKQQILIB-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.75
Rot. Bonds6

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

N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 26023726) has the molecular formula C13H9F3N6O2S2 and a molecular weight of 402.38 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID26023726
Molecular FormulaC13H9F3N6O2S2
Molecular Weight402.38 g/mol
Exact Mass402.02
IUPAC NameN-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1nccs1
InChIInChI=1S/C13H9F3N6O2S2/c14-13(15,16)24-9-3-1-8(2-4-9)22-12(19-20-21-22)26-7-10(23)18-11-17-5-6-25-11/h1-6H,7H2,(H,17,18,23)
InChIKeyKBEJIXUKQQILIB-UHFFFAOYSA-N
XLogP2.75
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 718204
N-(4-pyrrolidin-1-ylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 24500505
N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8971347
2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30159406
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3189414
N-(1-cyanocyclopentyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8007297
N-[[(2S)-oxolan-2-yl]methyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8010759
methyl 4-[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 3189409
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464653
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
4-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 16649170
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 26023726) is N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KBEJIXUKQQILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6O2S2/c14-13(15,16)24-9-3-1-8(2-4-9)22-12(19-20-21-22)26-7-10(23)18-11-17-5-6-25-11/h1-6H,7H2,(H,17,18,23).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 402.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 26023726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).