4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide

C12H11F3N2O2S2 — CID 103726448

IUPAC4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c1-6-9(10(19)16-4-8(18)12(13,14)15)21-11(17-6)7-2-3-20-5-7/h2-3,5,8,18H,4H2,1H3,(H,16,19)
InChIKeyIINXTVJOSYKDRJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.83
Rot. Bonds4

About 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide

4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 103726448) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID103726448
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c1-6-9(10(19)16-4-8(18)12(13,14)15)21-11(17-6)7-2-3-20-5-7/h2-3,5,8,18H,4H2,1H3,(H,16,19)
InChIKeyIINXTVJOSYKDRJ-UHFFFAOYSA-N
XLogP2.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 103726448) is 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IINXTVJOSYKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-6-9(10(19)16-4-8(18)12(13,14)15)21-11(17-6)7-2-3-20-5-7/h2-3,5,8,18H,4H2,1H3,(H,16,19).
What are the key properties of 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103726448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).