4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine

C19H17N5S2 — CID 44522311

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2nc(NCc3ccncc3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C19H17N5S2/c1-12-13(2)26-18(23-12)17-16(15-5-8-25-11-15)10-22-19(24-17)21-9-14-3-6-20-7-4-14/h3-8,10-11H,9H2,1-2H3,(H,21,22,24)
InChIKeyJORZZFMKRQNSTH-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.95
Rot. Bonds5

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522311) has the molecular formula C19H17N5S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522311
Molecular FormulaC19H17N5S2
Molecular Weight379.51 g/mol
Exact Mass379.09
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2nc(NCc3ccncc3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C19H17N5S2/c1-12-13(2)26-18(23-12)17-16(15-5-8-25-11-15)10-22-19(24-17)21-9-14-3-6-20-7-4-14/h3-8,10-11H,9H2,1-2H3,(H,21,22,24)
InChIKeyJORZZFMKRQNSTH-UHFFFAOYSA-N
XLogP4.95
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522311) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine is Cc1nc(-c2nc(NCc3ccncc3)ncc2-c2ccsc2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is JORZZFMKRQNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S2/c1-12-13(2)26-18(23-12)17-16(15-5-8-25-11-15)10-22-19(24-17)21-9-14-3-6-20-7-4-14/h3-8,10-11H,9H2,1-2H3,(H,21,22,24).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 379.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).