N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide

C7H5F3N2S — CID 144695801

IUPACN-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
SMILESFC(F)(F)c1ccnc(NC=S)c1
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)5-1-2-11-6(3-5)12-4-13/h1-4H,(H,11,12,13)
InChIKeyMIDVFLRSOMQYIX-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.47
Rot. Bonds2

About N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide

N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide (PubChem CID 144695801) has the molecular formula C7H5F3N2S and a molecular weight of 206.19 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
PubChem CID144695801
Molecular FormulaC7H5F3N2S
Molecular Weight206.19 g/mol
Exact Mass206.01
IUPAC NameN-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
SMILESFC(F)(F)c1ccnc(NC=S)c1
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)5-1-2-11-6(3-5)12-4-13/h1-4H,(H,11,12,13)
InChIKeyMIDVFLRSOMQYIX-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 102006525
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
sodium;hydride;[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 174221328
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide?
The IUPAC name of N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide (CID 144695801) is N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide?
The canonical SMILES for N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide is FC(F)(F)c1ccnc(NC=S)c1.
What is the InChIKey of N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide?
The InChIKey is MIDVFLRSOMQYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2S/c8-7(9,10)5-1-2-11-6(3-5)12-4-13/h1-4H,(H,11,12,13).
What are the key properties of N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide?
N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide has a molecular weight of 206.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide is sourced from PubChem (CID 144695801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).