1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine

C10H10ClN3S — CID 62538894

IUPAC1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESClc1cccc(CNCc2csnn2)c1
InChIInChI=1S/C10H10ClN3S/c11-9-3-1-2-8(4-9)5-12-6-10-7-15-14-13-10/h1-4,7,12H,5-6H2
InChIKeySMYYMLPFBLXEJL-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine

1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 62538894) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID62538894
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESClc1cccc(CNCc2csnn2)c1
InChIInChI=1S/C10H10ClN3S/c11-9-3-1-2-8(4-9)5-12-6-10-7-15-14-13-10/h1-4,7,12H,5-6H2
InChIKeySMYYMLPFBLXEJL-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43674087
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 60711332
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 61000037
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)methanamine
CID 28643591

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 62538894) is 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is Clc1cccc(CNCc2csnn2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is SMYYMLPFBLXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-9-3-1-2-8(4-9)5-12-6-10-7-15-14-13-10/h1-4,7,12H,5-6H2.
What are the key properties of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 239.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 62538894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).