9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol

C14H26N2S2 — CID 105344114

IUPAC9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
SMILESCN(CCCCCCCCCS)Cc1cscn1
InChIInChI=1S/C14H26N2S2/c1-16(11-14-12-18-13-15-14)9-7-5-3-2-4-6-8-10-17/h12-13,17H,2-11H2,1H3
InChIKeyBYDJIVLFPKNXSE-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.24
Rot. Bonds11

About 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol

9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol (PubChem CID 105344114) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol.

Molecular Properties

Compound Name9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
PubChem CID105344114
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
SMILESCN(CCCCCCCCCS)Cc1cscn1
InChIInChI=1S/C14H26N2S2/c1-16(11-14-12-18-13-15-14)9-7-5-3-2-4-6-8-10-17/h12-13,17H,2-11H2,1H3
InChIKeyBYDJIVLFPKNXSE-UHFFFAOYSA-N
XLogP4.24
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 76912814
N'-methyl-N-phenyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 55087775
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844711
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55012448
2,2-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 65258378
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62553676
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304

Frequently Asked Questions

What is the IUPAC name of 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol?
The IUPAC name of 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol (CID 105344114) is 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol.
What is the SMILES notation for 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol?
The canonical SMILES for 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol is CN(CCCCCCCCCS)Cc1cscn1.
What is the InChIKey of 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol?
The InChIKey is BYDJIVLFPKNXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-16(11-14-12-18-13-15-14)9-7-5-3-2-4-6-8-10-17/h12-13,17H,2-11H2,1H3.
What are the key properties of 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol?
9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol has a molecular weight of 286.51 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol is sourced from PubChem (CID 105344114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).