1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine

C11H20N2S — CID 105126219

IUPAC1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
SMILESCCCCCCC(N)c1csc(C)n1
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-7-10(12)11-8-14-9(2)13-11/h8,10H,3-7,12H2,1-2H3
InChIKeyFQYWOGIRBZSRAX-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.42
Rot. Bonds6

About 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine

1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine (PubChem CID 105126219) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
PubChem CID105126219
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
SMILESCCCCCCC(N)c1csc(C)n1
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-7-10(12)11-8-14-9(2)13-11/h8,10H,3-7,12H2,1-2H3
InChIKeyFQYWOGIRBZSRAX-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.42
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-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
CID 105179634
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
CID 61331075
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine (CID 105126219) is 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine is CCCCCCC(N)c1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine?
The InChIKey is FQYWOGIRBZSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-4-5-6-7-10(12)11-8-14-9(2)13-11/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine?
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine is sourced from PubChem (CID 105126219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).