5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2OS — CID 107153898

IUPAC5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC2CCCO2)S1
InChIInChI=1S/C12H22N2OS/c1-9(2)6-11-8-14-12(16-11)13-7-10-4-3-5-15-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyKEFNYWDGQQMBPO-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds4

About 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153898) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153898
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC2CCCO2)S1
InChIInChI=1S/C12H22N2OS/c1-9(2)6-11-8-14-12(16-11)13-7-10-4-3-5-15-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyKEFNYWDGQQMBPO-UHFFFAOYSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153898) is 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCC2CCCO2)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KEFNYWDGQQMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)6-11-8-14-12(16-11)13-7-10-4-3-5-15-10/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).