4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

C22H24N4S — CID 127044203

IUPAC4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(/C=C/C3CCCCC3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C22H24N4S/c1-15-20(19-13-14-24-22(23)26-19)27-21(25-15)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,23,24,26)/b8-7+
InChIKeyORFTXDWHNQGKHU-BQYQJAHWSA-N
MW376.53 g/mol
LogP5.75
Rot. Bonds4

About 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127044203) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127044203
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(/C=C/C3CCCCC3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C22H24N4S/c1-15-20(19-13-14-24-22(23)26-19)27-21(25-15)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,23,24,26)/b8-7+
InChIKeyORFTXDWHNQGKHU-BQYQJAHWSA-N
XLogP5.75
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127044203) is 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(/C=C/C3CCCCC3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is ORFTXDWHNQGKHU-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H24N4S/c1-15-20(19-13-14-24-22(23)26-19)27-21(25-15)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,23,24,26)/b8-7+.
What are the key properties of 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 376.53 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(E)-2-cyclohexylethenyl]phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127044203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).