1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C10H13N3S2 — CID 104841070

IUPAC1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(-c2cscn2)sc1CNC
InChIInChI=1S/C10H13N3S2/c1-3-7-9(4-11-2)15-10(13-7)8-5-14-6-12-8/h5-6,11H,3-4H2,1-2H3
InChIKeySRLWVPJETDNCAG-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841070) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841070
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(-c2cscn2)sc1CNC
InChIInChI=1S/C10H13N3S2/c1-3-7-9(4-11-2)15-10(13-7)8-5-14-6-12-8/h5-6,11H,3-4H2,1-2H3
InChIKeySRLWVPJETDNCAG-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363883
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 104841101
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103399663
4-[4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889255
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
1-[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932020
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365970
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841070) is 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(-c2cscn2)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is SRLWVPJETDNCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-3-7-9(4-11-2)15-10(13-7)8-5-14-6-12-8/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 239.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).