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

C18H28N2S — CID 107154190

IUPAC5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CCc1ccccc1)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C18H28N2S/c1-14(10-11-15-8-6-5-7-9-15)20-17-19-13-16(21-17)12-18(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,19,20)
InChIKeyHQZKVVOPXNSJFX-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.50
Rot. Bonds5

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

5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154190) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154190
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CCc1ccccc1)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C18H28N2S/c1-14(10-11-15-8-6-5-7-9-15)20-17-19-13-16(21-17)12-18(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,19,20)
InChIKeyHQZKVVOPXNSJFX-UHFFFAOYSA-N
XLogP4.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-N-(3-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154056
2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
CID 107154089
5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154862
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
CID 43678643
N-(4-phenylbutan-2-yl)thiadiazol-5-amine
CID 107649389
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
4-phenylbutan-2-ylhydrazine
CID 28622
N-(4-phenylbutan-2-yl)-4-(4-phenylphenyl)pyrimidin-2-amine
CID 171989250
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296377

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154190) is 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(CCc1ccccc1)NC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HQZKVVOPXNSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-14(10-11-15-8-6-5-7-9-15)20-17-19-13-16(21-17)12-18(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,19,20).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 304.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).