4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C16H23N3S — CID 63261612

IUPAC4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCC(NC2=NC(Cc3ccccc3)CS2)CC1
InChIInChI=1S/C16H23N3S/c1-19-9-7-14(8-10-19)17-16-18-15(12-20-16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,17,18)
InChIKeyYIEAQOWKTCNORT-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.38
Rot. Bonds3

About 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261612) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261612
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCC(NC2=NC(Cc3ccccc3)CS2)CC1
InChIInChI=1S/C16H23N3S/c1-19-9-7-14(8-10-19)17-16-18-15(12-20-16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,17,18)
InChIKeyYIEAQOWKTCNORT-UHFFFAOYSA-N
XLogP2.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261342
4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261659
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63183377
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63261747
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183229
2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 63261225
4-benzyl-1-methylazepane
CID 123177845

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261612) is 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CN1CCC(NC2=NC(Cc3ccccc3)CS2)CC1.
What is the InChIKey of 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YIEAQOWKTCNORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-19-9-7-14(8-10-19)17-16-18-15(12-20-16)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,17,18).
What are the key properties of 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).