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

C20H19N5S2 — CID 44522219

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2nc(NCCc3ccncc3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C20H19N5S2/c1-13-14(2)27-19(24-13)18-17(16-6-10-26-12-16)11-23-20(25-18)22-9-5-15-3-7-21-8-4-15/h3-4,6-8,10-12H,5,9H2,1-2H3,(H,22,23,25)
InChIKeyDCKKQCPEJFEQLL-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.00
Rot. Bonds6

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522219) has the molecular formula C20H19N5S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522219
Molecular FormulaC20H19N5S2
Molecular Weight393.54 g/mol
Exact Mass393.11
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2nc(NCCc3ccncc3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C20H19N5S2/c1-13-14(2)27-19(24-13)18-17(16-6-10-26-12-16)11-23-20(25-18)22-9-5-15-3-7-21-8-4-15/h3-4,6-8,10-12H,5,9H2,1-2H3,(H,22,23,25)
InChIKeyDCKKQCPEJFEQLL-UHFFFAOYSA-N
XLogP5.00
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 55.00
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-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522219) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine is Cc1nc(-c2nc(NCCc3ccncc3)ncc2-c2ccsc2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is DCKKQCPEJFEQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S2/c1-13-14(2)27-19(24-13)18-17(16-6-10-26-12-16)11-23-20(25-18)22-9-5-15-3-7-21-8-4-15/h3-4,6-8,10-12H,5,9H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 393.54 g/mol, XLogP of 5.00, 6 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-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).