N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C12H8F3N5S2 — CID 75505627

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCc2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C12H8F3N5S2/c13-12(14,15)10-19-20-11(22-10)17-5-7-6-21-9(18-7)8-3-1-2-4-16-8/h1-4,6H,5H2,(H,17,20)
InChIKeyQVTHMUWMLRGJHI-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.69
Rot. Bonds4

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 75505627) has the molecular formula C12H8F3N5S2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID75505627
Molecular FormulaC12H8F3N5S2
Molecular Weight343.36 g/mol
Exact Mass343.02
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCc2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C12H8F3N5S2/c13-12(14,15)10-19-20-11(22-10)17-5-7-6-21-9(18-7)8-3-1-2-4-16-8/h1-4,6H,5H2,(H,17,20)
InChIKeyQVTHMUWMLRGJHI-UHFFFAOYSA-N
XLogP3.69
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
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6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 99833986
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 107598427
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
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2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197
1-methoxy-2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 115608060

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 75505627) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCc2csc(-c3ccccn3)n2)s1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QVTHMUWMLRGJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S2/c13-12(14,15)10-19-20-11(22-10)17-5-7-6-21-9(18-7)8-3-1-2-4-16-8/h1-4,6H,5H2,(H,17,20).
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 343.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75505627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).