3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C8H10F3N3OS — CID 168974588

IUPAC3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)CCN)sc1C(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c1-4-6(8(9,10)11)16-7(13-4)14-5(15)2-3-12/h2-3,12H2,1H3,(H,13,14,15)
InChIKeyHAYHUZMCQLTOKB-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 168974588) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID168974588
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)CCN)sc1C(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c1-4-6(8(9,10)11)16-7(13-4)14-5(15)2-3-12/h2-3,12H2,1H3,(H,13,14,15)
InChIKeyHAYHUZMCQLTOKB-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 903546
3-[(3-Amino-3-oxopropyl)-(4,5-dimethyl-1,3-thiazol-2-yl)amino]propanamide
CID 1841307
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-isopropylurea
CID 16654058
N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710711
N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 15710713
N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 21801148
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide
CID 24832250
3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 168974587
N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 176199939
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3567599
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 5109657
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 5116170

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 168974588) is 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is Cc1nc(NC(=O)CCN)sc1C(F)(F)F.
What is the InChIKey of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is HAYHUZMCQLTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-4-6(8(9,10)11)16-7(13-4)14-5(15)2-3-12/h2-3,12H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 253.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 168974588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).