(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine

C10H12N4S — CID 81401864

IUPAC(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1csnn1)c1ccccn1
InChIInChI=1S/C10H12N4S/c1-8(10-4-2-3-5-11-10)12-6-9-7-15-14-13-9/h2-5,7-8,12H,6H2,1H3/t8-/m0/s1
InChIKeyBLPYDKRGWRCJRC-QMMMGPOBSA-N
MW220.30 g/mol
LogP1.78
Rot. Bonds4

About (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine

(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 81401864) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID81401864
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1csnn1)c1ccccn1
InChIInChI=1S/C10H12N4S/c1-8(10-4-2-3-5-11-10)12-6-9-7-15-14-13-9/h2-5,7-8,12H,6H2,1H3/t8-/m0/s1
InChIKeyBLPYDKRGWRCJRC-QMMMGPOBSA-N
XLogP1.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402421
6-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402144
1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 81401864) is (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine is C[C@H](NCc1csnn1)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is BLPYDKRGWRCJRC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N4S/c1-8(10-4-2-3-5-11-10)12-6-9-7-15-14-13-9/h2-5,7-8,12H,6H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 220.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 81401864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).