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

C13H24N2S — CID 61331075

IUPAC1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
SMILESCCCCCCC(N)c1nc(C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-11(14)13-15-12(9-16-13)10(2)3/h9-11H,4-8,14H2,1-3H3
InChIKeyBZURLDLISRYEPL-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.24
Rot. Bonds7

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

1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine (PubChem CID 61331075) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
PubChem CID61331075
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
SMILESCCCCCCC(N)c1nc(C(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-11(14)13-15-12(9-16-13)10(2)3/h9-11H,4-8,14H2,1-3H3
InChIKeyBZURLDLISRYEPL-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.24
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-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
CID 61330560
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
CID 58499202
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 103570173
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine?
The IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine (CID 61331075) is 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine.
What is the SMILES notation for 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine?
The canonical SMILES for 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine is CCCCCCC(N)c1nc(C(C)C)cs1.
What is the InChIKey of 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine?
The InChIKey is BZURLDLISRYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-5-6-7-8-11(14)13-15-12(9-16-13)10(2)3/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine?
1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine is sourced from PubChem (CID 61331075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).