4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine

C16H13F3N2S2 — CID 58906935

IUPAC4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1NCc1ccsc1
InChIInChI=1S/C16H13F3N2S2/c1-10-14(20-8-11-6-7-22-9-11)23-15(21-10)12-2-4-13(5-3-12)16(17,18)19/h2-7,9,20H,8H2,1H3
InChIKeyRAALTYGVASWHHB-UHFFFAOYSA-N
MW354.42 g/mol
LogP5.81
Rot. Bonds4

About 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine

4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine (PubChem CID 58906935) has the molecular formula C16H13F3N2S2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
PubChem CID58906935
Molecular FormulaC16H13F3N2S2
Molecular Weight354.42 g/mol
Exact Mass354.05
IUPAC Name4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1NCc1ccsc1
InChIInChI=1S/C16H13F3N2S2/c1-10-14(20-8-11-6-7-22-9-11)23-15(21-10)12-2-4-13(5-3-12)16(17,18)19/h2-7,9,20H,8H2,1H3
InChIKeyRAALTYGVASWHHB-UHFFFAOYSA-N
XLogP5.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 58907097
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 71845506
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62315277
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
3-bromo-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 65489410
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 1477992

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The IUPAC name of 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine (CID 58906935) is 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1NCc1ccsc1.
What is the InChIKey of 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The InChIKey is RAALTYGVASWHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2S2/c1-10-14(20-8-11-6-7-22-9-11)23-15(21-10)12-2-4-13(5-3-12)16(17,18)19/h2-7,9,20H,8H2,1H3.
What are the key properties of 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine has a molecular weight of 354.42 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 58906935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).