N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C13H22N2S2 — CID 80626828

IUPACN-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1CCCCS1
InChIInChI=1S/C13H22N2S2/c1-2-6-14-11(10-13-15-7-9-17-13)12-5-3-4-8-16-12/h7,9,11-12,14H,2-6,8,10H2,1H3
InChIKeySLULCWFWTOMMQE-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 80626828) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID80626828
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC NameN-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1CCCCS1
InChIInChI=1S/C13H22N2S2/c1-2-6-14-11(10-13-15-7-9-17-13)12-5-3-4-8-16-12/h7,9,11-12,14H,2-6,8,10H2,1H3
InChIKeySLULCWFWTOMMQE-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825132
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169089
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
N-[2-(2,4-dichlorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626945
N-[2-(2,5-difluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626944
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627212
N-[2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627452
3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
CID 103011691

Frequently Asked Questions

What is the IUPAC name of N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 80626828) is N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)C1CCCCS1.
What is the InChIKey of N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is SLULCWFWTOMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-2-6-14-11(10-13-15-7-9-17-13)12-5-3-4-8-16-12/h7,9,11-12,14H,2-6,8,10H2,1H3.
What are the key properties of N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 270.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80626828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).