5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H24N2OS — CID 107153934

IUPAC5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C12H24N2OS/c1-12(2,3)8-10-9-14-11(16-10)13-6-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyWBNCIKFOKGDIFA-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds5

About 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153934) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153934
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C12H24N2OS/c1-12(2,3)8-10-9-14-11(16-10)13-6-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyWBNCIKFOKGDIFA-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 162494619
5-cyclopropyl-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296427
5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296524
5-cyclopropyl-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296603
5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296616
N-(4-methoxybutan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 64603262
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 64603877
5-cyclopropyl-N-(3-propoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 82943235
5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 82943455
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 102699428
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967659

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153934) is 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WBNCIKFOKGDIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-12(2,3)8-10-9-14-11(16-10)13-6-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).