1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine

C13H17N5S — CID 55249277

IUPAC1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
SMILESc1cnc(N2CCCC(NCc3nccs3)C2)nc1
InChIInChI=1S/C13H17N5S/c1-3-11(17-9-12-14-6-8-19-12)10-18(7-1)13-15-4-2-5-16-13/h2,4-6,8,11,17H,1,3,7,9-10H2
InChIKeyIWLNYYBYVFQXKW-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.69
Rot. Bonds4

About 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine

1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine (PubChem CID 55249277) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
PubChem CID55249277
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
SMILESc1cnc(N2CCCC(NCc3nccs3)C2)nc1
InChIInChI=1S/C13H17N5S/c1-3-11(17-9-12-14-6-8-19-12)10-18(7-1)13-15-4-2-5-16-13/h2,4-6,8,11,17H,1,3,7,9-10H2
InChIKeyIWLNYYBYVFQXKW-UHFFFAOYSA-N
XLogP1.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 52511209
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728851
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine (CID 55249277) is 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine is c1cnc(N2CCCC(NCc3nccs3)C2)nc1.
What is the InChIKey of 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
The InChIKey is IWLNYYBYVFQXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-3-11(17-9-12-14-6-8-19-12)10-18(7-1)13-15-4-2-5-16-13/h2,4-6,8,11,17H,1,3,7,9-10H2.
What are the key properties of 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine?
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine has a molecular weight of 275.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 55249277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).