thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H13F3N2S2 — CID 106783553

IUPACthian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCCCS1
InChIInChI=1S/C10H13F3N2S2/c11-10(12,13)9-15-5-7(17-9)8(14)6-3-1-2-4-16-6/h5-6,8H,1-4,14H2
InChIKeySEEHHOOSYQRDDY-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.45
Rot. Bonds2

About thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783553) has the molecular formula C10H13F3N2S2 and a molecular weight of 282.36 g/mol. Its IUPAC name is thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namethian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783553
Molecular FormulaC10H13F3N2S2
Molecular Weight282.36 g/mol
Exact Mass282.05
IUPAC Namethian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCCCS1
InChIInChI=1S/C10H13F3N2S2/c11-10(12,13)9-15-5-7(17-9)8(14)6-3-1-2-4-16-6/h5-6,8H,1-4,14H2
InChIKeySEEHHOOSYQRDDY-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 118297278
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118302998
2-(4,4-Difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 123484882
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine
CID 90955802
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62653545
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964584
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80476259

Frequently Asked Questions

What is the IUPAC name of thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783553) is thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cnc(C(F)(F)F)s1)C1CCCCS1.
What is the InChIKey of thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SEEHHOOSYQRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S2/c11-10(12,13)9-15-5-7(17-9)8(14)6-3-1-2-4-16-6/h5-6,8H,1-4,14H2.
What are the key properties of thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 282.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).