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

C11H14N2S2 — CID 104588791

IUPAC2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-9(11-13-4-6-15-11)7-12-8-10-3-2-5-14-10/h2-6,9,12H,7-8H2,1H3
InChIKeyHKAPNNFDTMWDGS-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.10
Rot. Bonds5

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

2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 104588791) 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-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID104588791
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-9(11-13-4-6-15-11)7-12-8-10-3-2-5-14-10/h2-6,9,12H,7-8H2,1H3
InChIKeyHKAPNNFDTMWDGS-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

2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527680
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588597
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 104588599
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 104588791) is 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is HKAPNNFDTMWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-9(11-13-4-6-15-11)7-12-8-10-3-2-5-14-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(1,3-thiazol-2-yl)-N-(thiophen-2-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-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 104588791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).