5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide

C20H23FN4O3S — CID 170776358

IUPAC5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1c(C(NC(=O)Nc2cnc(C(=O)N(C)C)s2)C(C)C)oc2ccc(F)cc12
InChIInChI=1S/C20H23FN4O3S/c1-10(2)16(17-11(3)13-8-12(21)6-7-14(13)28-17)24-20(27)23-15-9-22-18(29-15)19(26)25(4)5/h6-10,16H,1-5H3,(H2,23,24,27)
InChIKeySEXZSQJWSDMZPD-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.56
Rot. Bonds5

About 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide

5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 170776358) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID170776358
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1c(C(NC(=O)Nc2cnc(C(=O)N(C)C)s2)C(C)C)oc2ccc(F)cc12
InChIInChI=1S/C20H23FN4O3S/c1-10(2)16(17-11(3)13-8-12(21)6-7-14(13)28-17)24-20(27)23-15-9-22-18(29-15)19(26)25(4)5/h6-10,16H,1-5H3,(H2,23,24,27)
InChIKeySEXZSQJWSDMZPD-UHFFFAOYSA-N
XLogP4.56
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide
CID 166631784
3-[1-(5-Fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71866426
1-(1-Benzofuran-2-ylmethyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylurea
CID 71982708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 91662108
(5-Fluoro-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840398
(7-Fluoro-3-methyl-1-benzofuran-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840595
methyl 5-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-1,3-thiazole-2-carboxylate
CID 166532113
5-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide
CID 166532246
5-[[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide
CID 166532600
5-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 166532611
5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N-methyl-1,3-thiazole-2-carboxamide
CID 170776328
5-[[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 170776373

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide (CID 170776358) is 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide is Cc1c(C(NC(=O)Nc2cnc(C(=O)N(C)C)s2)C(C)C)oc2ccc(F)cc12.
What is the InChIKey of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is SEXZSQJWSDMZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-10(2)16(17-11(3)13-8-12(21)6-7-14(13)28-17)24-20(27)23-15-9-22-18(29-15)19(26)25(4)5/h6-10,16H,1-5H3,(H2,23,24,27).
What are the key properties of 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide?
5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]carbamoylamino]-N,N-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 170776358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).