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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Related Compounds

CID 80250658
CID 80250658
CID 80316390
CID 80316390
CID 80316472
CID 80316472
CID 80316808
CID 80316808
CID 83151820
CID 83151820
CID 83151823
CID 83151823
CID 83151826
CID 83151826
CID 83151827
CID 83151827
CID 83151831
CID 83151831
CID 83151832
CID 83151832
CID 83151835
CID 83151835
CID 83151837
CID 83151837

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).