5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine

C16H22N4S — CID 103379473

IUPAC5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
SMILESCN(C)C1CCN(c2snc(N)c2-c2ccccc2)CC1
InChIInChI=1S/C16H22N4S/c1-19(2)13-8-10-20(11-9-13)16-14(15(17)18-21-16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,17,18)
InChIKeyIITRSZTZYFVLLI-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.92
Rot. Bonds3

About 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine

5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine (PubChem CID 103379473) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
PubChem CID103379473
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
SMILESCN(C)C1CCN(c2snc(N)c2-c2ccccc2)CC1
InChIInChI=1S/C16H22N4S/c1-19(2)13-8-10-20(11-9-13)16-14(15(17)18-21-16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,17,18)
InChIKeyIITRSZTZYFVLLI-UHFFFAOYSA-N
XLogP2.92
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
CID 107229416
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091
5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363190
1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103364994
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365859
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363094
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103363092
5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365792

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine?
The IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine (CID 103379473) is 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine is CN(C)C1CCN(c2snc(N)c2-c2ccccc2)CC1.
What is the InChIKey of 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine?
The InChIKey is IITRSZTZYFVLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-19(2)13-8-10-20(11-9-13)16-14(15(17)18-21-16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,17,18).
What are the key properties of 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine?
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine has a molecular weight of 302.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103379473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).