3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide

C19H16N2O2S — CID 86825646

IUPAC3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)s1
InChIInChI=1S/C19H16N2O2S/c1-11-15-8-7-13-5-3-4-6-16(13)18(15)23-17(11)19(22)21-10-14-9-20-12(2)24-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyHMUQTPURMWFGNO-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.59
Rot. Bonds3

About 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 86825646) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID86825646
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)s1
InChIInChI=1S/C19H16N2O2S/c1-11-15-8-7-13-5-3-4-6-16(13)18(15)23-17(11)19(22)21-10-14-9-20-12(2)24-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyHMUQTPURMWFGNO-UHFFFAOYSA-N
XLogP4.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836541
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 78839014
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7534992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide (CID 86825646) is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide is Cc1ncc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)s1.
What is the InChIKey of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is HMUQTPURMWFGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-11-15-8-7-13-5-3-4-6-16(13)18(15)23-17(11)19(22)21-10-14-9-20-12(2)24-14/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 86825646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).