6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C16H19N7S — CID 72922351

IUPAC6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCCC(c3nccn3Cc3cscn3)C2)ncn1
InChIInChI=1S/C16H19N7S/c17-14-6-15(20-10-19-14)22-4-1-2-12(7-22)16-18-3-5-23(16)8-13-9-24-11-21-13/h3,5-6,9-12H,1-2,4,7-8H2,(H2,17,19,20)
InChIKeyZGCICRCFDQTCDR-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.14
Rot. Bonds4

About 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72922351) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID72922351
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCCC(c3nccn3Cc3cscn3)C2)ncn1
InChIInChI=1S/C16H19N7S/c17-14-6-15(20-10-19-14)22-4-1-2-12(7-22)16-18-3-5-23(16)8-13-9-24-11-21-13/h3,5-6,9-12H,1-2,4,7-8H2,(H2,17,19,20)
InChIKeyZGCICRCFDQTCDR-UHFFFAOYSA-N
XLogP2.14
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 72922351) is 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCCC(c3nccn3Cc3cscn3)C2)ncn1.
What is the InChIKey of 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZGCICRCFDQTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c17-14-6-15(20-10-19-14)22-4-1-2-12(7-22)16-18-3-5-23(16)8-13-9-24-11-21-13/h3,5-6,9-12H,1-2,4,7-8H2,(H2,17,19,20).
What are the key properties of 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72922351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).