4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine

C12H21ClN2S — CID 83152792

IUPAC4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine
SMILESCCCCCC(C)(C)CNc1nc(Cl)cs1
InChIInChI=1S/C12H21ClN2S/c1-4-5-6-7-12(2,3)9-14-11-15-10(13)8-16-11/h8H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyGYUZZMUJUAPBPO-UHFFFAOYSA-N
MW260.83 g/mol
LogP4.81
Rot. Bonds7

About 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine

4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine (PubChem CID 83152792) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine
PubChem CID83152792
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine
SMILESCCCCCC(C)(C)CNc1nc(Cl)cs1
InChIInChI=1S/C12H21ClN2S/c1-4-5-6-7-12(2,3)9-14-11-15-10(13)8-16-11/h8H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyGYUZZMUJUAPBPO-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 54.81
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-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine (CID 83152792) is 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine is CCCCCC(C)(C)CNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine?
The InChIKey is GYUZZMUJUAPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-4-5-6-7-12(2,3)9-14-11-15-10(13)8-16-11/h8H,4-7,9H2,1-3H3,(H,14,15).
What are the key properties of 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine?
4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine has a molecular weight of 260.83 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).