N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide

C21H21N3O3S — CID 2552958

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1csc(NCC(C)C)n1)oc1ccccc12
InChIInChI=1S/C21H21N3O3S/c1-12(2)10-22-21-24-16(11-28-21)20(25)23-15-9-18-14(8-19(15)26-3)13-6-4-5-7-17(13)27-18/h4-9,11-12H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKYGLFIRHMBKYQH-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.37
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide

N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide (PubChem CID 2552958) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide
PubChem CID2552958
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1csc(NCC(C)C)n1)oc1ccccc12
InChIInChI=1S/C21H21N3O3S/c1-12(2)10-22-21-24-16(11-28-21)20(25)23-15-9-18-14(8-19(15)26-3)13-6-4-5-7-17(13)27-18/h4-9,11-12H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKYGLFIRHMBKYQH-UHFFFAOYSA-N
XLogP5.37
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4010051
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
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(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide (CID 2552958) is N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide is COc1cc2c(cc1NC(=O)c1csc(NCC(C)C)n1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is KYGLFIRHMBKYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-12(2)10-22-21-24-16(11-28-21)20(25)23-15-9-18-14(8-19(15)26-3)13-6-4-5-7-17(13)27-18/h4-9,11-12H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-(2-methylpropylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2552958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).