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

C20H20N4S — CID 127044511

IUPAC4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C3=CCC(C)C3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C20H20N4S/c1-12-3-4-16(11-12)14-5-7-15(8-6-14)19-23-13(2)18(25-19)17-9-10-22-20(21)24-17/h4-10,12H,3,11H2,1-2H3,(H2,21,22,24)
InChIKeyKVXWXVOVBYWBLY-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.97
Rot. Bonds3

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

4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127044511) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127044511
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C3=CCC(C)C3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C20H20N4S/c1-12-3-4-16(11-12)14-5-7-15(8-6-14)19-23-13(2)18(25-19)17-9-10-22-20(21)24-17/h4-10,12H,3,11H2,1-2H3,(H2,21,22,24)
InChIKeyKVXWXVOVBYWBLY-UHFFFAOYSA-N
XLogP4.97
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127044511) is 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(C3=CCC(C)C3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is KVXWXVOVBYWBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-12-3-4-16(11-12)14-5-7-15(8-6-14)19-23-13(2)18(25-19)17-9-10-22-20(21)24-17/h4-10,12H,3,11H2,1-2H3,(H2,21,22,24).
What are the key properties of 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 348.48 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-[4-(4-methylcyclopenten-1-yl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127044511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).