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

C14H16F3N5S — CID 99698892

IUPAC6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1cccc(NC[C@@H]2CCN(c3nnc(C(F)(F)F)s3)C2)n1
InChIInChI=1S/C14H16F3N5S/c1-9-3-2-4-11(19-9)18-7-10-5-6-22(8-10)13-21-20-12(23-13)14(15,16)17/h2-4,10H,5-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWAQMJXFARGGIMC-JTQLQIEISA-N
MW343.38 g/mol
LogP3.20
Rot. Bonds4

About 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine

6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 99698892) has the molecular formula C14H16F3N5S and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID99698892
Molecular FormulaC14H16F3N5S
Molecular Weight343.38 g/mol
Exact Mass343.11
IUPAC Name6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1cccc(NC[C@@H]2CCN(c3nnc(C(F)(F)F)s3)C2)n1
InChIInChI=1S/C14H16F3N5S/c1-9-3-2-4-11(19-9)18-7-10-5-6-22(8-10)13-21-20-12(23-13)14(15,16)17/h2-4,10H,5-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWAQMJXFARGGIMC-JTQLQIEISA-N
XLogP3.20
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133493215
6-methyl-N-[[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 97351953
6-methyl-N-[[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 75455220
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 125142174
3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114449444
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 99836664
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 131963797
tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 97225711
6-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-2,6-diamine
CID 80647041

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 99698892) is 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1cccc(NC[C@@H]2CCN(c3nnc(C(F)(F)F)s3)C2)n1.
What is the InChIKey of 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is WAQMJXFARGGIMC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3N5S/c1-9-3-2-4-11(19-9)18-7-10-5-6-22(8-10)13-21-20-12(23-13)14(15,16)17/h2-4,10H,5-8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 343.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 99698892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).