4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine

C12H21ClN2S — CID 107816095

IUPAC4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine
SMILESCC(C)CCCCCCNc1nc(Cl)cs1
InChIInChI=1S/C12H21ClN2S/c1-10(2)7-5-3-4-6-8-14-12-15-11(13)9-16-12/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyULPFAKSALVAATA-UHFFFAOYSA-N
MW260.83 g/mol
LogP4.81
Rot. Bonds8

About 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine

4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine (PubChem CID 107816095) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine
PubChem CID107816095
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine
SMILESCC(C)CCCCCCNc1nc(Cl)cs1
InChIInChI=1S/C12H21ClN2S/c1-10(2)7-5-3-4-6-8-14-12-15-11(13)9-16-12/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyULPFAKSALVAATA-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720
N-(4-chloro-1,3-thiazol-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 83152296
4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine
CID 83153503
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529
N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
CID 83156277
5-bromo-N-(7-methyloctyl)-1,3,4-thiadiazol-2-amine
CID 107817577
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
CID 107816082
2-methyl-2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369963
6-chloro-4-N-ethyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818968
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
methyl 4-chloro-2-(7-methyloctylamino)-1,3-thiazole-5-carboxylate
CID 107817531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine (CID 107816095) is 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine is CC(C)CCCCCCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine?
The InChIKey is ULPFAKSALVAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-10(2)7-5-3-4-6-8-14-12-15-11(13)9-16-12/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine?
4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine has a molecular weight of 260.83 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107816095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).