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

C11H20N2S — CID 62796871

IUPAC1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
SMILESCCCCCC(N)Cc1nc(C)cs1
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-10(12)7-11-13-9(2)8-14-11/h8,10H,3-7,12H2,1-2H3
InChIKeyVJCIHJIZNYTJSW-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.90
Rot. Bonds6

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

1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine (PubChem CID 62796871) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
PubChem CID62796871
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
SMILESCCCCCC(N)Cc1nc(C)cs1
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-10(12)7-11-13-9(2)8-14-11/h8,10H,3-7,12H2,1-2H3
InChIKeyVJCIHJIZNYTJSW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
1-(3-chlorothiophen-2-yl)undecan-2-amine
CID 112749736
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine (CID 62796871) is 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine is CCCCCC(N)Cc1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
The InChIKey is VJCIHJIZNYTJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-4-5-6-10(12)7-11-13-9(2)8-14-11/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine is sourced from PubChem (CID 62796871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).