N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine

C14H17N3S — CID 113226644

IUPACN-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESc1ccc(N2CCC(Nc3nccs3)CC2)cc1
InChIInChI=1S/C14H17N3S/c1-2-4-13(5-3-1)17-9-6-12(7-10-17)16-14-15-8-11-18-14/h1-5,8,11-12H,6-7,9-10H2,(H,15,16)
InChIKeyRMHPWTKVPZMPIQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.22
Rot. Bonds3

About N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine

N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 113226644) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID113226644
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESc1ccc(N2CCC(Nc3nccs3)CC2)cc1
InChIInChI=1S/C14H17N3S/c1-2-4-13(5-3-1)17-9-6-12(7-10-17)16-14-15-8-11-18-14/h1-5,8,11-12H,6-7,9-10H2,(H,15,16)
InChIKeyRMHPWTKVPZMPIQ-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 79048061
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
N-(azetidin-3-yl)-1,3-thiazol-2-amine
CID 66187030
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N,N-dimethyl-4-(1,3-thiazol-2-ylamino)piperidine-1-sulfonamide
CID 166226223
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
2,3,5,6-tetrafluoro-N-(1-phenylpiperidin-4-yl)pyridin-4-amine
CID 133371653
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one
CID 86786507
2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133292269
N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine
CID 167902629
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 113226644) is N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine is c1ccc(N2CCC(Nc3nccs3)CC2)cc1.
What is the InChIKey of N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is RMHPWTKVPZMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-4-13(5-3-1)17-9-6-12(7-10-17)16-14-15-8-11-18-14/h1-5,8,11-12H,6-7,9-10H2,(H,15,16).
What are the key properties of N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 113226644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).