1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine

C17H24N2S2 — CID 105169791

IUPAC1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine
SMILESCCNC(Cc1nc2ccccc2s1)CC1CCSCC1
InChIInChI=1S/C17H24N2S2/c1-2-18-14(11-13-7-9-20-10-8-13)12-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyFURCVWARCKEDNR-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.35
Rot. Bonds6

About 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine

1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105169791) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine
PubChem CID105169791
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine
SMILESCCNC(Cc1nc2ccccc2s1)CC1CCSCC1
InChIInChI=1S/C17H24N2S2/c1-2-18-14(11-13-7-9-20-10-8-13)12-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyFURCVWARCKEDNR-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987549
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
CID 63352973
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387042
1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105154970
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79826726
[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
CID 105325091

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine (CID 105169791) is 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine is CCNC(Cc1nc2ccccc2s1)CC1CCSCC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is FURCVWARCKEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-2-18-14(11-13-7-9-20-10-8-13)12-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine?
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 320.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105169791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).