2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid

C10H8F3N3O2S2 — CID 167836470

IUPAC2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1nc(C(F)(F)F)cs1)c1ncc(C(=O)O)s1
InChIInChI=1S/C10H8F3N3O2S2/c1-16(9-14-2-5(20-9)8(17)18)3-7-15-6(4-19-7)10(11,12)13/h2,4H,3H2,1H3,(H,17,18)
InChIKeyYBEQMMRIXVDHPJ-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.95
Rot. Bonds4

About 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid

2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 167836470) has the molecular formula C10H8F3N3O2S2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID167836470
Molecular FormulaC10H8F3N3O2S2
Molecular Weight323.32 g/mol
Exact Mass323.00
IUPAC Name2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1nc(C(F)(F)F)cs1)c1ncc(C(=O)O)s1
InChIInChI=1S/C10H8F3N3O2S2/c1-16(9-14-2-5(20-9)8(17)18)3-7-15-6(4-19-7)10(11,12)13/h2,4H,3H2,1H3,(H,17,18)
InChIKeyYBEQMMRIXVDHPJ-UHFFFAOYSA-N
XLogP2.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 164636935
5-Ethylsulfanyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 172692552
2-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64309972
5-[Methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyrazine-2-carboxylic acid
CID 122048890
2-[1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 138003012
1-[1-(1,3-Thiazol-2-yl)ethyl]imidazole-4-carboxylic acid
CID 127018693
2-(4-Methylimidazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 149657444
1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylic acid
CID 166520528
2-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 62753297
2-[Methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62753656
2-[Methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754678
2-[Methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62755026

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 167836470) is 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid is CN(Cc1nc(C(F)(F)F)cs1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YBEQMMRIXVDHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S2/c1-16(9-14-2-5(20-9)8(17)18)3-7-15-6(4-19-7)10(11,12)13/h2,4H,3H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 323.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 167836470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).