N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine

C11H20N2S — CID 105015264

IUPACN-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
SMILESCCCCCC(Cc1nccs1)NC
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-10(12-2)9-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyVPPAWUAQSBSTBO-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.85
Rot. Bonds7

About N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine

N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine (PubChem CID 105015264) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
PubChem CID105015264
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
SMILESCCCCCC(Cc1nccs1)NC
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-10(12-2)9-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyVPPAWUAQSBSTBO-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-thiazol-2-yl)undecan-2-ylhydrazine
CID 105324540
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
CID 65450081
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine (CID 105015264) is N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine is CCCCCC(Cc1nccs1)NC.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
The InChIKey is VPPAWUAQSBSTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-4-5-6-10(12-2)9-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine?
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine is sourced from PubChem (CID 105015264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).