3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C15H18N2O3S — CID 22170799

IUPAC3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-9(2)13-8-16-15(21-13)17-14(18)10-5-6-11(19-3)12(7-10)20-4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyFFURPEZAROYSCQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.54
Rot. Bonds5

About 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170799) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170799
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-9(2)13-8-16-15(21-13)17-14(18)10-5-6-11(19-3)12(7-10)20-4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyFFURPEZAROYSCQ-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide
CID 22170599

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170799) is 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FFURPEZAROYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9(2)13-8-16-15(21-13)17-14(18)10-5-6-11(19-3)12(7-10)20-4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 306.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).