N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine

C11H18N2OS — CID 104693354

IUPACN-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(C2CCOC2)cs1
InChIInChI=1S/C11H18N2OS/c1-8(2)5-12-11-13-10(7-15-11)9-3-4-14-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyYSDXHXIOGMFGKR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.71
Rot. Bonds4

About N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 104693354) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID104693354
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(C2CCOC2)cs1
InChIInChI=1S/C11H18N2OS/c1-8(2)5-12-11-13-10(7-15-11)9-3-4-14-6-9/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyYSDXHXIOGMFGKR-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 104693354) is N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine is CC(C)CNc1nc(C2CCOC2)cs1.
What is the InChIKey of N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is YSDXHXIOGMFGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)5-12-11-13-10(7-15-11)9-3-4-14-6-9/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104693354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).