N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide

C18H14N2O4S — CID 5159412

IUPACN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1
InChIInChI=1S/C18H14N2O4S/c1-22-13-4-2-3-12(7-13)17(21)20-18-19-14(9-25-18)11-5-6-15-16(8-11)24-10-23-15/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyYTQCXRJTYNSAAP-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide (PubChem CID 5159412) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
PubChem CID5159412
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1
InChIInChI=1S/C18H14N2O4S/c1-22-13-4-2-3-12(7-13)17(21)20-18-19-14(9-25-18)11-5-6-15-16(8-11)24-10-23-15/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyYTQCXRJTYNSAAP-UHFFFAOYSA-N
XLogP3.80
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 803577
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
Ethyl {2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 784187
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 2166356
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide (CID 5159412) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The InChIKey is YTQCXRJTYNSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-22-13-4-2-3-12(7-13)17(21)20-18-19-14(9-25-18)11-5-6-15-16(8-11)24-10-23-15/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide has a molecular weight of 354.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 5159412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).