4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine

C13H24N2S — CID 63469688

IUPAC4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCCCCCCCc1nc(C(C)C)sc1N
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-9-11-12(14)16-13(15-11)10(2)3/h10H,4-9,14H2,1-3H3
InChIKeyMDZGICSMWYKTQL-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.36
Rot. Bonds7

About 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine

4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 63469688) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine
PubChem CID63469688
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCCCCCCCc1nc(C(C)C)sc1N
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-9-11-12(14)16-13(15-11)10(2)3/h10H,4-9,14H2,1-3H3
InChIKeyMDZGICSMWYKTQL-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
CID 62077188
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
CID 174954459
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62221040
5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
CID 21199980
5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
CID 102456583
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133
ethane;5-ethyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 170954196
5-nonyl-1,3,4-thiadiazol-2-amine
CID 3866264
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine (CID 63469688) is 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine is CCCCCCCc1nc(C(C)C)sc1N.
What is the InChIKey of 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is MDZGICSMWYKTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-5-6-7-8-9-11-12(14)16-13(15-11)10(2)3/h10H,4-9,14H2,1-3H3.
What are the key properties of 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine?
4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 240.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 63469688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).