N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine

C15H16N2S3 — CID 61044447

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
SMILESCc1csc(CNC(Cc2cccs2)c2cccs2)n1
InChIInChI=1S/C15H16N2S3/c1-11-10-20-15(17-11)9-16-13(14-5-3-7-19-14)8-12-4-2-6-18-12/h2-7,10,13,16H,8-9H2,1H3
InChIKeyMPQIWMUWYUASOT-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.65
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine (PubChem CID 61044447) has the molecular formula C15H16N2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
PubChem CID61044447
Molecular FormulaC15H16N2S3
Molecular Weight320.51 g/mol
Exact Mass320.05
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
SMILESCc1csc(CNC(Cc2cccs2)c2cccs2)n1
InChIInChI=1S/C15H16N2S3/c1-11-10-20-15(17-11)9-16-13(14-5-3-7-19-14)8-12-4-2-6-18-12/h2-7,10,13,16H,8-9H2,1H3
InChIKeyMPQIWMUWYUASOT-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 103787056
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 84595105
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563830
(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563841
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine (CID 61044447) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine is Cc1csc(CNC(Cc2cccs2)c2cccs2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
The InChIKey is MPQIWMUWYUASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S3/c1-11-10-20-15(17-11)9-16-13(14-5-3-7-19-14)8-12-4-2-6-18-12/h2-7,10,13,16H,8-9H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine has a molecular weight of 320.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine is sourced from PubChem (CID 61044447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).