2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine

C15H16N2S3 — CID 62578108

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Sc1nc2ccccc2s1
InChIInChI=1S/C15H16N2S3/c1-11(9-16-10-12-5-4-8-18-12)19-15-17-13-6-2-3-7-14(13)20-15/h2-8,11,16H,9-10H2,1H3
InChIKeyISVIDGDEBAZTEW-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.63
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62578108) has the molecular formula C15H16N2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62578108
Molecular FormulaC15H16N2S3
Molecular Weight320.51 g/mol
Exact Mass320.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Sc1nc2ccccc2s1
InChIInChI=1S/C15H16N2S3/c1-11(9-16-10-12-5-4-8-18-12)19-15-17-13-6-2-3-7-14(13)20-15/h2-8,11,16H,9-10H2,1H3
InChIKeyISVIDGDEBAZTEW-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 62578110
N-[2-(1,3-benzothiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62578544
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62578547
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2707127
3-(1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83961875
2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62582122
3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64613650
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(1-phenylmethoxypropan-2-ylsulfanyl)-1,3-benzothiazole
CID 122379582
2-[(2S)-but-3-yn-2-yl]sulfanyl-1,3-benzothiazole
CID 94044815
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 43036232

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62578108) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)Sc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is ISVIDGDEBAZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S3/c1-11(9-16-10-12-5-4-8-18-12)19-15-17-13-6-2-3-7-14(13)20-15/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 320.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62578108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).