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

C20H20N4S — CID 127044512

IUPAC4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C3=CCCCC3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C20H20N4S/c1-13-18(17-11-12-22-20(21)24-17)25-19(23-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-12H,2-4,6H2,1H3,(H2,21,22,24)
InChIKeyNIZFAYGMVYFRIJ-UHFFFAOYSA-N
MW348.48 g/mol
LogP5.12
Rot. Bonds3

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

4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127044512) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127044512
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C3=CCCCC3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C20H20N4S/c1-13-18(17-11-12-22-20(21)24-17)25-19(23-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-12H,2-4,6H2,1H3,(H2,21,22,24)
InChIKeyNIZFAYGMVYFRIJ-UHFFFAOYSA-N
XLogP5.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127044512) is 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(C3=CCCCC3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is NIZFAYGMVYFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-13-18(17-11-12-22-20(21)24-17)25-19(23-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-12H,2-4,6H2,1H3,(H2,21,22,24).
What are the key properties of 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 348.48 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127044512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).