N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide

C24H29N3O3S — CID 56501633

IUPACN-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(Cc3ccccc3)C(C)CN3CCOCC3)s2)o1
InChIInChI=1S/C24H29N3O3S/c1-17(15-26-11-13-29-14-12-26)27(16-20-7-5-4-6-8-20)24(28)22-19(3)25-23(31-22)21-10-9-18(2)30-21/h4-10,17H,11-16H2,1-3H3
InChIKeyOMSFWRWFONGKEJ-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.38
Rot. Bonds7

About N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 56501633) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID56501633
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(Cc3ccccc3)C(C)CN3CCOCC3)s2)o1
InChIInChI=1S/C24H29N3O3S/c1-17(15-26-11-13-29-14-12-26)27(16-20-7-5-4-6-8-20)24(28)22-19(3)25-23(31-22)21-10-9-18(2)30-21/h4-10,17H,11-16H2,1-3H3
InChIKeyOMSFWRWFONGKEJ-UHFFFAOYSA-N
XLogP4.38
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56501664
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
N-benzyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501103
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120885918
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide (CID 56501633) is N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N(Cc3ccccc3)C(C)CN3CCOCC3)s2)o1.
What is the InChIKey of N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is OMSFWRWFONGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-17(15-26-11-13-29-14-12-26)27(16-20-7-5-4-6-8-20)24(28)22-19(3)25-23(31-22)21-10-9-18(2)30-21/h4-10,17H,11-16H2,1-3H3.
What are the key properties of N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56501633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).