(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

C11H12ClN3S — CID 81366313

IUPAC(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3S/c1-8(9-3-2-4-10(12)5-9)13-6-11-7-16-15-14-11/h2-5,7-8,13H,6H2,1H3/t8-/m0/s1
InChIKeyCYFUIBNHQWYYIM-QMMMGPOBSA-N
MW253.76 g/mol
LogP3.04
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine

(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 81366313) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID81366313
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3S/c1-8(9-3-2-4-10(12)5-9)13-6-11-7-16-15-14-11/h2-5,7-8,13H,6H2,1H3/t8-/m0/s1
InChIKeyCYFUIBNHQWYYIM-QMMMGPOBSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43674087
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894
1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674167
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
CID 81365962
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 81366313) is (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is C[C@H](NCc1csnn1)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is CYFUIBNHQWYYIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-8(9-3-2-4-10(12)5-9)13-6-11-7-16-15-14-11/h2-5,7-8,13H,6H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine?
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 253.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 81366313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).