(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine

C12H16N2S2 — CID 81399072

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1ncc(CN[C@@H](C)c2cccs2)s1
InChIInChI=1S/C12H16N2S2/c1-3-12-14-8-10(16-12)7-13-9(2)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3/t9-/m0/s1
InChIKeySCNDDIBJNNJGFA-VIFPVBQESA-N
MW252.41 g/mol
LogP3.62
Rot. Bonds5

About (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81399072) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81399072
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1ncc(CN[C@@H](C)c2cccs2)s1
InChIInChI=1S/C12H16N2S2/c1-3-12-14-8-10(16-12)7-13-9(2)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3/t9-/m0/s1
InChIKeySCNDDIBJNNJGFA-VIFPVBQESA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60983008
4-[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethyl]benzonitrile
CID 55025430
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 103787056
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 60982159
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine (CID 81399072) is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine is CCc1ncc(CN[C@@H](C)c2cccs2)s1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is SCNDDIBJNNJGFA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-12-14-8-10(16-12)7-13-9(2)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81399072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).