ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine

C15H26N4S — CID 178152364

IUPACethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCC.CNCc1cccc(C)n1.CNCc1cscn1
InChIInChI=1S/C8H12N2.C5H8N2S.C2H6/c1-7-4-3-5-8(10-7)6-9-2;1-6-2-5-3-8-4-7-5;1-2/h3-5,9H,6H2,1-2H3;3-4,6H,2H2,1H3;1-2H3
InChIKeyGIXBAONSLFCLRS-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.00
Rot. Bonds4

About ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine

ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 178152364) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID178152364
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Nameethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCC.CNCc1cccc(C)n1.CNCc1cscn1
InChIInChI=1S/C8H12N2.C5H8N2S.C2H6/c1-7-4-3-5-8(10-7)6-9-2;1-6-2-5-3-8-4-7-5;1-2/h3-5,9H,6H2,1-2H3;3-4,6H,2H2,1H3;1-2H3
InChIKeyGIXBAONSLFCLRS-UHFFFAOYSA-N
XLogP3.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 79268111
N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
CID 62321970
2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571425

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 178152364) is ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine is CC.CNCc1cccc(C)n1.CNCc1cscn1.
What is the InChIKey of ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is GIXBAONSLFCLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C5H8N2S.C2H6/c1-7-4-3-5-8(10-7)6-9-2;1-6-2-5-3-8-4-7-5;1-2/h3-5,9H,6H2,1-2H3;3-4,6H,2H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine?
ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 294.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(6-methyl-2-pyridinyl)methanamine;N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 178152364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).