2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide

C9H9F3N6OS — CID 75467992

IUPAC2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESO=C(Cn1cnnn1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H9F3N6OS/c10-9(11,12)6-4-20-8(15-6)1-2-13-7(19)3-18-5-14-16-17-18/h4-5H,1-3H2,(H,13,19)
InChIKeyINBRKQQLXCOJQS-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.51
Rot. Bonds5

About 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide

2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 75467992) has the molecular formula C9H9F3N6OS and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID75467992
Molecular FormulaC9H9F3N6OS
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESO=C(Cn1cnnn1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H9F3N6OS/c10-9(11,12)6-4-20-8(15-6)1-2-13-7(19)3-18-5-14-16-17-18/h4-5H,1-3H2,(H,13,19)
InChIKeyINBRKQQLXCOJQS-UHFFFAOYSA-N
XLogP0.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide 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

1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 100702932
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 124512508
2-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 71985956
3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 71985957
2-(Tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 84591616
(2R)-2-(1,2,4-triazol-1-yl)-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 95906679
(2R)-2-(1,2,4-triazol-1-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 95906680
(2S)-2-(1,2,4-triazol-1-yl)-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 95906681
(2S)-2-(1,2,4-triazol-1-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 95906682
3-(1,2,4-triazol-1-yl)-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 97586160
3-(1,2,4-triazol-1-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 97586161
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 100702944

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (CID 75467992) is 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is O=C(Cn1cnnn1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is INBRKQQLXCOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6OS/c10-9(11,12)6-4-20-8(15-6)1-2-13-7(19)3-18-5-14-16-17-18/h4-5H,1-3H2,(H,13,19).
What are the key properties of 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 306.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 75467992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).