4-heptyl-1,3-thiazol-2-amine

C10H18N2S — CID 24973504

IUPAC4-heptyl-1,3-thiazol-2-amine
SMILESCCCCCCCc1csc(N)n1
InChIInChI=1S/C10H18N2S/c1-2-3-4-5-6-7-9-8-13-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyCUAUNZQFHWHNDR-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.24
Rot. Bonds6

About 4-heptyl-1,3-thiazol-2-amine

4-heptyl-1,3-thiazol-2-amine (PubChem CID 24973504) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-heptyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-heptyl-1,3-thiazol-2-amine
PubChem CID24973504
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-heptyl-1,3-thiazol-2-amine
SMILESCCCCCCCc1csc(N)n1
InChIInChI=1S/C10H18N2S/c1-2-3-4-5-6-7-9-8-13-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyCUAUNZQFHWHNDR-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 4-heptyl-1,3-thiazol-2-amine?
The IUPAC name of 4-heptyl-1,3-thiazol-2-amine (CID 24973504) is 4-heptyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-heptyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-heptyl-1,3-thiazol-2-amine is CCCCCCCc1csc(N)n1.
What is the InChIKey of 4-heptyl-1,3-thiazol-2-amine?
The InChIKey is CUAUNZQFHWHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-3-4-5-6-7-9-8-13-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12).
What are the key properties of 4-heptyl-1,3-thiazol-2-amine?
4-heptyl-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1,3-thiazol-2-amine is sourced from PubChem (CID 24973504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).