N-(5-methylhexyl)-1,3-thiazol-2-amine

C10H18N2S — CID 115326150

IUPACN-(5-methylhexyl)-1,3-thiazol-2-amine
SMILESCC(C)CCCCNc1nccs1
InChIInChI=1S/C10H18N2S/c1-9(2)5-3-4-6-11-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyTZHHCPTUPLDZHO-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.38
Rot. Bonds6

About N-(5-methylhexyl)-1,3-thiazol-2-amine

N-(5-methylhexyl)-1,3-thiazol-2-amine (PubChem CID 115326150) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-(5-methylhexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)-1,3-thiazol-2-amine
PubChem CID115326150
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-(5-methylhexyl)-1,3-thiazol-2-amine
SMILESCC(C)CCCCNc1nccs1
InChIInChI=1S/C10H18N2S/c1-9(2)5-3-4-6-11-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyTZHHCPTUPLDZHO-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 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 ≤ 53.38
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

2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 106155364
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine
CID 107816095

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methylhexyl)-1,3-thiazol-2-amine (CID 115326150) is N-(5-methylhexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methylhexyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methylhexyl)-1,3-thiazol-2-amine is CC(C)CCCCNc1nccs1.
What is the InChIKey of N-(5-methylhexyl)-1,3-thiazol-2-amine?
The InChIKey is TZHHCPTUPLDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(2)5-3-4-6-11-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(5-methylhexyl)-1,3-thiazol-2-amine?
N-(5-methylhexyl)-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115326150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).