N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide

C17H15F2N5O2S — CID 90506292

IUPACN-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3cccc(OC(F)F)c3)cs2)n1
InChIInChI=1S/C17H15F2N5O2S/c1-9-6-10(2)21-16(20-9)24-17-23-13(8-27-17)14(25)22-11-4-3-5-12(7-11)26-15(18)19/h3-8,15H,1-2H3,(H,22,25)(H,20,21,23,24)
InChIKeyBMEHJCWMNRFHMA-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.15
Rot. Bonds6

About N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide

N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90506292) has the molecular formula C17H15F2N5O2S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90506292
Molecular FormulaC17H15F2N5O2S
Molecular Weight391.40 g/mol
Exact Mass391.09
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3cccc(OC(F)F)c3)cs2)n1
InChIInChI=1S/C17H15F2N5O2S/c1-9-6-10(2)21-16(20-9)24-17-23-13(8-27-17)14(25)22-11-4-3-5-12(7-11)26-15(18)19/h3-8,15H,1-2H3,(H,22,25)(H,20,21,23,24)
InChIKeyBMEHJCWMNRFHMA-UHFFFAOYSA-N
XLogP4.15
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 90506222
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1H-indazol-6-yl)-1,3-thiazole-4-carboxamide
CID 90506306
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90506242
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (CID 90506292) is N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(Nc2nc(C(=O)Nc3cccc(OC(F)F)c3)cs2)n1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is BMEHJCWMNRFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2S/c1-9-6-10(2)21-16(20-9)24-17-23-13(8-27-17)14(25)22-11-4-3-5-12(7-11)26-15(18)19/h3-8,15H,1-2H3,(H,22,25)(H,20,21,23,24).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).