4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine

C16H17N5OS — CID 56788876

IUPAC4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCCc2nc(-c3ccncc3)cs2)n1
InChIInChI=1S/C16H17N5OS/c1-22-14-6-10-19-16(21-14)18-7-2-3-15-20-13(11-23-15)12-4-8-17-9-5-12/h4-6,8-11H,2-3,7H2,1H3,(H,18,19,21)
InChIKeyMQERCVISNWKIJL-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.05
Rot. Bonds7

About 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine

4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine (PubChem CID 56788876) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
PubChem CID56788876
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCCc2nc(-c3ccncc3)cs2)n1
InChIInChI=1S/C16H17N5OS/c1-22-14-6-10-19-16(21-14)18-7-2-3-15-20-13(11-23-15)12-4-8-17-9-5-12/h4-6,8-11H,2-3,7H2,1H3,(H,18,19,21)
InChIKeyMQERCVISNWKIJL-UHFFFAOYSA-N
XLogP3.05
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine (CID 56788876) is 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine is COc1ccnc(NCCCc2nc(-c3ccncc3)cs2)n1.
What is the InChIKey of 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
The InChIKey is MQERCVISNWKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-22-14-6-10-19-16(21-14)18-7-2-3-15-20-13(11-23-15)12-4-8-17-9-5-12/h4-6,8-11H,2-3,7H2,1H3,(H,18,19,21).
What are the key properties of 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine has a molecular weight of 327.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 56788876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).