2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen

C14H22ClN5OS — CID 142892814

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen
SMILESCC.CCOC.Cc1nc(Cl)cc(Nc2ncc(C#N)s2)n1.[H][H]
InChIInChI=1S/C9H6ClN5S.C3H8O.C2H6.H2/c1-5-13-7(10)2-8(14-5)15-9-12-4-6(3-11)16-9;1-3-4-2;1-2;/h2,4H,1H3,(H,12,13,14,15);3H2,1-2H3;1-2H3;1H
InChIKeyYYAOCKMTYZLVKR-UHFFFAOYSA-N
MW343.88 g/mol
LogP4.44
Rot. Bonds3

About 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen (PubChem CID 142892814) has the molecular formula C14H22ClN5OS and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen
PubChem CID142892814
Molecular FormulaC14H22ClN5OS
Molecular Weight343.88 g/mol
Exact Mass343.12
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen
SMILESCC.CCOC.Cc1nc(Cl)cc(Nc2ncc(C#N)s2)n1.[H][H]
InChIInChI=1S/C9H6ClN5S.C3H8O.C2H6.H2/c1-5-13-7(10)2-8(14-5)15-9-12-4-6(3-11)16-9;1-3-4-2;1-2;/h2,4H,1H3,(H,12,13,14,15);3H2,1-2H3;1-2H3;1H
InChIKeyYYAOCKMTYZLVKR-UHFFFAOYSA-N
XLogP4.44
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen (CID 142892814) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen is CC.CCOC.Cc1nc(Cl)cc(Nc2ncc(C#N)s2)n1.[H][H].
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen?
The InChIKey is YYAOCKMTYZLVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5S.C3H8O.C2H6.H2/c1-5-13-7(10)2-8(14-5)15-9-12-4-6(3-11)16-9;1-3-4-2;1-2;/h2,4H,1H3,(H,12,13,14,15);3H2,1-2H3;1-2H3;1H.
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen has a molecular weight of 343.88 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile;ethane;methoxyethane;molecular hydrogen is sourced from PubChem (CID 142892814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).