N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide

C17H20N2O2S — CID 125161477

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)cs1
InChIInChI=1S/C17H20N2O2S/c1-3-6-16-18-14(11-22-16)17(20)19(2)10-13-9-12-7-4-5-8-15(12)21-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyGTKWPPSIFYMZFN-ZDUSSCGKSA-N
MW316.43 g/mol
LogP3.17
Rot. Bonds5

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 125161477) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID125161477
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)cs1
InChIInChI=1S/C17H20N2O2S/c1-3-6-16-18-14(11-22-16)17(20)19(2)10-13-9-12-7-4-5-8-15(12)21-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyGTKWPPSIFYMZFN-ZDUSSCGKSA-N
XLogP3.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95123892
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
CID 125165888
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50959976
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72861011

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide (CID 125161477) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)cs1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is GTKWPPSIFYMZFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-6-16-18-14(11-22-16)17(20)19(2)10-13-9-12-7-4-5-8-15(12)21-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125161477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).