N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C20H20N2O2S — CID 55677853

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(C)C3CCc4ccccc43)s2)o1
InChIInChI=1S/C20H20N2O2S/c1-12-8-11-17(24-12)19-21-13(2)18(25-19)20(23)22(3)16-10-9-14-6-4-5-7-15(14)16/h4-8,11,16H,9-10H2,1-3H3
InChIKeyPHXXQOVMJCOZTB-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.78
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55677853) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID55677853
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(C)C3CCc4ccccc43)s2)o1
InChIInChI=1S/C20H20N2O2S/c1-12-8-11-17(24-12)19-21-13(2)18(25-19)20(23)22(3)16-10-9-14-6-4-5-7-15(14)16/h4-8,11,16H,9-10H2,1-3H3
InChIKeyPHXXQOVMJCOZTB-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 35205344
N-cyclopentyl-N-ethyl-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 71896501
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 47939210
N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120885918
N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55881727
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-carboxamide
CID 43049148
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
CID 43575502
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-oxazole-4-carboxamide
CID 138997641
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 55677853) is N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N(C)C3CCc4ccccc43)s2)o1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PHXXQOVMJCOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-12-8-11-17(24-12)19-21-13(2)18(25-19)20(23)22(3)16-10-9-14-6-4-5-7-15(14)16/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55677853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).