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

Analyze N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-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

Related Compounds

4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
CID 141131257
N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
CID 175251030
1-[4-[4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68937841
4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
CID 143143317
N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 67349230
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
CID 89370521
CID 89370521
N-[5-[2-(4-chloroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]formamide
CID 142894175
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid
CID 58742227

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).