2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine

C11H14N2S2 — CID 104588660

IUPAC2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccsc1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-9(11-13-3-5-15-11)6-12-7-10-2-4-14-8-10/h2-5,8-9,12H,6-7H2,1H3
InChIKeyNLZWEQOILKOQKW-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.10
Rot. Bonds5

About 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine

2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 104588660) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID104588660
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccsc1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-9(11-13-3-5-15-11)6-12-7-10-2-4-14-8-10/h2-5,8-9,12H,6-7H2,1H3
InChIKeyNLZWEQOILKOQKW-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527684
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 92582018
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine (CID 104588660) is 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine is CC(CNCc1ccsc1)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is NLZWEQOILKOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-9(11-13-3-5-15-11)6-12-7-10-2-4-14-8-10/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine?
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 104588660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).