N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C18H18F2N4O2S — CID 75468978

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1sc(NC(=O)c2ccnn2C(C)C)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N4O2S/c1-10(2)24-14(8-9-21-24)16(25)23-18-22-15(11(3)27-18)12-4-6-13(7-5-12)26-17(19)20/h4-10,17H,1-3H3,(H,22,23,25)
InChIKeyOCEGOAYAWHMHKH-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.75
Rot. Bonds6

About N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 75468978) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID75468978
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1sc(NC(=O)c2ccnn2C(C)C)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N4O2S/c1-10(2)24-14(8-9-21-24)16(25)23-18-22-15(11(3)27-18)12-4-6-13(7-5-12)26-17(19)20/h4-10,17H,1-3H3,(H,22,23,25)
InChIKeyOCEGOAYAWHMHKH-UHFFFAOYSA-N
XLogP4.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553886
(2S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51959491
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119693581
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 18205332
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633440
5-chloro-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 36809605
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-ethyl-3-methyl-4-nitropyrazole-5-carboxamide
CID 75400777
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
(2S,4S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120618742

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 75468978) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1sc(NC(=O)c2ccnn2C(C)C)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is OCEGOAYAWHMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c1-10(2)24-14(8-9-21-24)16(25)23-18-22-15(11(3)27-18)12-4-6-13(7-5-12)26-17(19)20/h4-10,17H,1-3H3,(H,22,23,25).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 75468978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).