N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine

C16H23N5S — CID 45248129

IUPACN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1ncsc1CCCNc1cc(C2CCCNC2)ncn1
InChIInChI=1S/C16H23N5S/c1-12-15(22-11-21-12)5-3-7-18-16-8-14(19-10-20-16)13-4-2-6-17-9-13/h8,10-11,13,17H,2-7,9H2,1H3,(H,18,19,20)
InChIKeyDFHVZVZJQQDHCN-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.75
Rot. Bonds6

About N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 45248129) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID45248129
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1ncsc1CCCNc1cc(C2CCCNC2)ncn1
InChIInChI=1S/C16H23N5S/c1-12-15(22-11-21-12)5-3-7-18-16-8-14(19-10-20-16)13-4-2-6-17-9-13/h8,10-11,13,17H,2-7,9H2,1H3,(H,18,19,20)
InChIKeyDFHVZVZJQQDHCN-UHFFFAOYSA-N
XLogP2.75
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine (CID 45248129) is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine is Cc1ncsc1CCCNc1cc(C2CCCNC2)ncn1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is DFHVZVZJQQDHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12-15(22-11-21-12)5-3-7-18-16-8-14(19-10-20-16)13-4-2-6-17-9-13/h8,10-11,13,17H,2-7,9H2,1H3,(H,18,19,20).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine?
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 317.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 45248129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).