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

C12H24N2OS — CID 64603262

IUPACN-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H24N2OS/c1-9(2)7-11-8-16-12(14-11)13-10(3)5-6-15-4/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyUBLNLEDKPYODIZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds6

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

N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 64603262) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID64603262
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H24N2OS/c1-9(2)7-11-8-16-12(14-11)13-10(3)5-6-15-4/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyUBLNLEDKPYODIZ-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 64603262) is N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCC(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UBLNLEDKPYODIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)7-11-8-16-12(14-11)13-10(3)5-6-15-4/h9-11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 64603262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).