(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

C18H20N2S2 — CID 92582018

IUPAC(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESC[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1
InChIInChI=1S/C18H20N2S2/c1-14(16-5-3-2-4-6-16)12-20-17(18-19-8-10-22-18)11-15-7-9-21-13-15/h2-10,13-14,17,20H,11-12H2,1H3/t14-,17+/m1/s1
InChIKeyNNNZEKCJZYVZOT-PBHICJAKSA-N
MW328.51 g/mol
LogP4.88
Rot. Bonds7

About (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 92582018) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID92582018
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESC[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1
InChIInChI=1S/C18H20N2S2/c1-14(16-5-3-2-4-6-16)12-20-17(18-19-8-10-22-18)11-15-7-9-21-13-15/h2-10,13-14,17,20H,11-12H2,1H3/t14-,17+/m1/s1
InChIKeyNNNZEKCJZYVZOT-PBHICJAKSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine with MolForge

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Related Compounds

(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063
N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine;hydrochloride
CID 118741846
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
N-[(3-methyl-1H-indol-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 46966583
1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione
CID 110221820
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
N-[(3-prop-2-ynoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 46955476
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92600697
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 92582018) is (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is C[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is NNNZEKCJZYVZOT-PBHICJAKSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-14(16-5-3-2-4-6-16)12-20-17(18-19-8-10-22-18)11-15-7-9-21-13-15/h2-10,13-14,17,20H,11-12H2,1H3/t14-,17+/m1/s1.
What are the key properties of (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 328.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 92582018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).