3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide

C14H14Cl2N2O2S — CID 110443047

IUPAC3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C14H14Cl2N2O2S/c1-7-8(2)21-11(18-7)6-17-14(19)12-9(15)4-5-10(16)13(12)20-3/h4-5H,6H2,1-3H3,(H,17,19)
InChIKeySOWQHDAQENFRME-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.01
Rot. Bonds4

About 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide

3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 110443047) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
PubChem CID110443047
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C14H14Cl2N2O2S/c1-7-8(2)21-11(18-7)6-17-14(19)12-9(15)4-5-10(16)13(12)20-3/h4-5H,6H2,1-3H3,(H,17,19)
InChIKeySOWQHDAQENFRME-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443046
3,6-dichloro-2-methoxy-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]benzamide
CID 110401107
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
3,6-dichloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110443051
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956498
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319582
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide (CID 110443047) is 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCc1nc(C)c(C)s1.
What is the InChIKey of 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is SOWQHDAQENFRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-7-8(2)21-11(18-7)6-17-14(19)12-9(15)4-5-10(16)13(12)20-3/h4-5H,6H2,1-3H3,(H,17,19).
What are the key properties of 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide?
3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 345.25 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 110443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).