2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

C15H18N6OS2 — CID 10044208

IUPAC2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(Nc2ncc(C#N)s2)cc(SCCN2CCOCC2)n1
InChIInChI=1S/C15H18N6OS2/c1-11-18-13(20-15-17-10-12(9-16)24-15)8-14(19-11)23-7-4-21-2-5-22-6-3-21/h8,10H,2-7H2,1H3,(H,17,18,19,20)
InChIKeyVGBXWUIRJDXYGD-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.28
Rot. Bonds6

About 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 10044208) has the molecular formula C15H18N6OS2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID10044208
Molecular FormulaC15H18N6OS2
Molecular Weight362.48 g/mol
Exact Mass362.10
IUPAC Name2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(Nc2ncc(C#N)s2)cc(SCCN2CCOCC2)n1
InChIInChI=1S/C15H18N6OS2/c1-11-18-13(20-15-17-10-12(9-16)24-15)8-14(19-11)23-7-4-21-2-5-22-6-3-21/h8,10H,2-7H2,1H3,(H,17,18,19,20)
InChIKeyVGBXWUIRJDXYGD-UHFFFAOYSA-N
XLogP2.28
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (CID 10044208) is 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is Cc1nc(Nc2ncc(C#N)s2)cc(SCCN2CCOCC2)n1.
What is the InChIKey of 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is VGBXWUIRJDXYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS2/c1-11-18-13(20-15-17-10-12(9-16)24-15)8-14(19-11)23-7-4-21-2-5-22-6-3-21/h8,10H,2-7H2,1H3,(H,17,18,19,20).
What are the key properties of 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 362.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 10044208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).