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

C16H18N2S3 — CID 103787056

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
SMILESCCc1cnc(CNC(Cc2cccs2)c2cccs2)s1
InChIInChI=1S/C16H18N2S3/c1-2-12-10-18-16(21-12)11-17-14(15-6-4-8-20-15)9-13-5-3-7-19-13/h3-8,10,14,17H,2,9,11H2,1H3
InChIKeyKETWZCYCISEWEO-UHFFFAOYSA-N
MW334.54 g/mol
LogP4.90
Rot. Bonds7

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine (PubChem CID 103787056) has the molecular formula C16H18N2S3 and a molecular weight of 334.54 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
PubChem CID103787056
Molecular FormulaC16H18N2S3
Molecular Weight334.54 g/mol
Exact Mass334.06
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
SMILESCCc1cnc(CNC(Cc2cccs2)c2cccs2)s1
InChIInChI=1S/C16H18N2S3/c1-2-12-10-18-16(21-12)11-17-14(15-6-4-8-20-15)9-13-5-3-7-19-13/h3-8,10,14,17H,2,9,11H2,1H3
InChIKeyKETWZCYCISEWEO-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 61044447
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine (CID 103787056) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine is CCc1cnc(CNC(Cc2cccs2)c2cccs2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
The InChIKey is KETWZCYCISEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S3/c1-2-12-10-18-16(21-12)11-17-14(15-6-4-8-20-15)9-13-5-3-7-19-13/h3-8,10,14,17H,2,9,11H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine has a molecular weight of 334.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine is sourced from PubChem (CID 103787056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).