1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine

C12H14ClN3S — CID 43674087

IUPAC1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3S/c1-2-12(9-4-3-5-10(13)6-9)14-7-11-8-17-16-15-11/h3-6,8,12,14H,2,7H2,1H3
InChIKeyHGCWXGCHYPGSQC-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine

1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43674087) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43674087
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3S/c1-2-12(9-4-3-5-10(13)6-9)14-7-11-8-17-16-15-11/h3-6,8,12,14H,2,7H2,1H3
InChIKeyHGCWXGCHYPGSQC-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
CID 43674094
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
(1S)-1-(3-chlorophenyl)-N-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 125142718
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
1-(3-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102831822
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
2-chloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 115904752
2,4-dichloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 43674065

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43674087) is 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine is CCC(NCc1csnn1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is HGCWXGCHYPGSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-2-12(9-4-3-5-10(13)6-9)14-7-11-8-17-16-15-11/h3-6,8,12,14H,2,7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 267.78 g/mol, XLogP of 3.43, 5 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)propan-1-amine is sourced from PubChem (CID 43674087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).