5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C15H23N3S — CID 107154847

IUPAC5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cnccc1CNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C15H23N3S/c1-11-8-16-6-5-12(11)9-17-14-18-10-13(19-14)7-15(2,3)4/h5-6,8,13H,7,9-10H2,1-4H3,(H,17,18)
InChIKeyUEJKTADUXQJVEY-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.39
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154847) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154847
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cnccc1CNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C15H23N3S/c1-11-8-16-6-5-12(11)9-17-14-18-10-13(19-14)7-15(2,3)4/h5-6,8,13H,7,9-10H2,1-4H3,(H,17,18)
InChIKeyUEJKTADUXQJVEY-UHFFFAOYSA-N
XLogP3.39
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114701228
N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956905
5-(2,2-dimethylpropyl)-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154019
N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956895
N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956902
N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153826
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
5-(2,2-dimethylpropyl)-N-(3,3,5,5-tetramethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154684
5-(2,2-dimethylpropyl)-N-(5-methylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154622
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
2-N,2-N-dimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133495534
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154847) is 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cnccc1CNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UEJKTADUXQJVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11-8-16-6-5-12(11)9-17-14-18-10-13(19-14)7-15(2,3)4/h5-6,8,13H,7,9-10H2,1-4H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.39, 3 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-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).