4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide

C21H19N5O4S — CID 166193471

IUPAC4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cc(C(N)=O)oc3C)cs2)cc1-c1ccnn1C
InChIInChI=1S/C21H19N5O4S/c1-11-13(9-18(30-11)19(22)27)15-10-31-21(24-15)25-20(28)12-4-5-17(29-3)14(8-12)16-6-7-23-26(16)2/h4-10H,1-3H3,(H2,22,27)(H,24,25,28)
InChIKeyRQLJOOORSWWMFU-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.47
Rot. Bonds6

About 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide

4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 166193471) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide
PubChem CID166193471
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cc(C(N)=O)oc3C)cs2)cc1-c1ccnn1C
InChIInChI=1S/C21H19N5O4S/c1-11-13(9-18(30-11)19(22)27)15-10-31-21(24-15)25-20(28)12-4-5-17(29-3)14(8-12)16-6-7-23-26(16)2/h4-10H,1-3H3,(H2,22,27)(H,24,25,28)
InChIKeyRQLJOOORSWWMFU-UHFFFAOYSA-N
XLogP3.47
TPSA125.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
3-ethoxy-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
CID 30798544
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 35889009
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 26723789
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094711
5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide
CID 119035214
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
5-methyl-4-[2-[[(3R)-3-methylpentanoyl]amino]-1,3-thiazol-4-yl]furan-2-carboxamide
CID 100704513

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide (CID 166193471) is 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide is COc1ccc(C(=O)Nc2nc(-c3cc(C(N)=O)oc3C)cs2)cc1-c1ccnn1C.
What is the InChIKey of 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is RQLJOOORSWWMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-11-13(9-18(30-11)19(22)27)15-10-31-21(24-15)25-20(28)12-4-5-17(29-3)14(8-12)16-6-7-23-26(16)2/h4-10H,1-3H3,(H2,22,27)(H,24,25,28).
What are the key properties of 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide?
4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 166193471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).