N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H26N2S — CID 62198781

IUPACN-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C13H26N2S/c1-5-6-7-11(4)14-13-15-12(9-16-13)8-10(2)3/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyBEABBSITQSUFFD-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.67
Rot. Bonds6

About N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62198781) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62198781
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C13H26N2S/c1-5-6-7-11(4)14-13-15-12(9-16-13)8-10(2)3/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyBEABBSITQSUFFD-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 62198781) is N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCCC(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BEABBSITQSUFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-5-6-7-11(4)14-13-15-12(9-16-13)8-10(2)3/h10-12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62198781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).