N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine

C20H14F2N4S — CID 10091163

IUPACN-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCc1nc(-c2ccccc2)sc1-c1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H14F2N4S/c1-12-18(27-19(24-12)13-5-3-2-4-6-13)17-9-10-23-20(26-17)25-14-7-8-15(21)16(22)11-14/h2-11H,1H3,(H,23,25,26)
InChIKeyCWADABIFZPYYAO-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.60
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine

N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 10091163) has the molecular formula C20H14F2N4S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID10091163
Molecular FormulaC20H14F2N4S
Molecular Weight380.42 g/mol
Exact Mass380.09
IUPAC NameN-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCc1nc(-c2ccccc2)sc1-c1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H14F2N4S/c1-12-18(27-19(24-12)13-5-3-2-4-6-13)17-9-10-23-20(26-17)25-14-7-8-15(21)16(22)11-14/h2-11H,1H3,(H,23,25,26)
InChIKeyCWADABIFZPYYAO-UHFFFAOYSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine (CID 10091163) is N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine is Cc1nc(-c2ccccc2)sc1-c1ccnc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is CWADABIFZPYYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4S/c1-12-18(27-19(24-12)13-5-3-2-4-6-13)17-9-10-23-20(26-17)25-14-7-8-15(21)16(22)11-14/h2-11H,1H3,(H,23,25,26).
What are the key properties of N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 380.42 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 10091163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).