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

C17H26N2OS — CID 107154300

IUPAC5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCCCOc2ccccc2)S1
InChIInChI=1S/C17H26N2OS/c1-17(2,3)12-15-13-19-16(21-15)18-10-7-11-20-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,19)
InChIKeyCTCZATUYELJQPX-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.95
Rot. Bonds6

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

5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154300) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154300
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCCCOc2ccccc2)S1
InChIInChI=1S/C17H26N2OS/c1-17(2,3)12-15-13-19-16(21-15)18-10-7-11-20-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,19)
InChIKeyCTCZATUYELJQPX-UHFFFAOYSA-N
XLogP3.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.95
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

5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154622
5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154131
5-(2,2-dimethylpropyl)-N-(2-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154772
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154300) is 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCCCOc2ccccc2)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CTCZATUYELJQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-17(2,3)12-15-13-19-16(21-15)18-10-7-11-20-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,19).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 306.47 g/mol, XLogP of 3.95, 6 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-phenoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).