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

C12H22N2OS — CID 61251135

IUPAC4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCOCC2)=N1
InChIInChI=1S/C12H22N2OS/c1-9(2)7-11-8-16-12(14-11)13-10-3-5-15-6-4-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyGPJACSOZBGJXRE-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds3

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

4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61251135) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61251135
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCOCC2)=N1
InChIInChI=1S/C12H22N2OS/c1-9(2)7-11-8-16-12(14-11)13-10-3-5-15-6-4-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyGPJACSOZBGJXRE-UHFFFAOYSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43610486
N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610488
4-ethyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610489
5-methyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610492
N-(1-ethoxypropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61850076
N-(oxan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61868546
N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61868547
5-methyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61868750
N-(oxolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62824362
5-cyclopropyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296248
5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296571
4-ethyl-N-(oxan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63363334

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61251135) is 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC2CCOCC2)=N1.
What is the InChIKey of 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GPJACSOZBGJXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)7-11-8-16-12(14-11)13-10-3-5-15-6-4-10/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61251135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).