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

C18H20N4O2S — CID 121061476

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-11(2)22-12(3)9-15(21-22)17(23)20-18-19-16(10-25-18)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,20,23)
InChIKeyGGSFZCRBYZFOTG-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.16
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 121061476) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID121061476
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-11(2)22-12(3)9-15(21-22)17(23)20-18-19-16(10-25-18)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,20,23)
InChIKeyGGSFZCRBYZFOTG-UHFFFAOYSA-N
XLogP4.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 121061487
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952159
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
4,6-dimethyl-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 19224462
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 21008252
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 121061476) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is GGSFZCRBYZFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11(2)22-12(3)9-15(21-22)17(23)20-18-19-16(10-25-18)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,20,23).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 121061476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).