1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

C13H24N2S2 — CID 112643130

IUPAC1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(CSC(C)CC)Cc1cncs1
InChIInChI=1S/C13H24N2S2/c1-4-6-15-12(9-16-11(3)5-2)7-13-8-14-10-17-13/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyCHBFSJIQBUQASL-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.59
Rot. Bonds9

About 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112643130) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112643130
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(CSC(C)CC)Cc1cncs1
InChIInChI=1S/C13H24N2S2/c1-4-6-15-12(9-16-11(3)5-2)7-13-8-14-10-17-13/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyCHBFSJIQBUQASL-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
1-cyclopentylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643134
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
CID 65141748
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112643130) is 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCCNC(CSC(C)CC)Cc1cncs1.
What is the InChIKey of 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is CHBFSJIQBUQASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-4-6-15-12(9-16-11(3)5-2)7-13-8-14-10-17-13/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112643130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).