N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine

C13H18N2S2 — CID 105169161

IUPACN-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1nccs1
InChIInChI=1S/C13H18N2S2/c1-2-4-14-12(8-11-3-6-16-10-11)9-13-15-5-7-17-13/h3,5-7,10,12,14H,2,4,8-9H2,1H3
InChIKeyZCGIXEBQKXYAMA-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.36
Rot. Bonds7

About N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine

N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105169161) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105169161
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC NameN-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1nccs1
InChIInChI=1S/C13H18N2S2/c1-2-4-14-12(8-11-3-6-16-10-11)9-13-15-5-7-17-13/h3,5-7,10,12,14H,2,4,8-9H2,1H3
InChIKeyZCGIXEBQKXYAMA-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823913
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105161824
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015268
1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine (CID 105169161) is N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine is CCCNC(Cc1ccsc1)Cc1nccs1.
What is the InChIKey of N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is ZCGIXEBQKXYAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-2-4-14-12(8-11-3-6-16-10-11)9-13-15-5-7-17-13/h3,5-7,10,12,14H,2,4,8-9H2,1H3.
What are the key properties of N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine?
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).