N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C14H17N3O3S — CID 35158597

IUPACN-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-8-12(14(15-2)21-17-8)13(18)16-9-5-10(19-3)7-11(6-9)20-4/h5-7,15H,1-4H3,(H,16,18)
InChIKeyCVZNGJFLIBNYOB-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.76
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 35158597) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID35158597
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-8-12(14(15-2)21-17-8)13(18)16-9-5-10(19-3)7-11(6-9)20-4/h5-7,15H,1-4H3,(H,16,18)
InChIKeyCVZNGJFLIBNYOB-UHFFFAOYSA-N
XLogP2.76
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 35158597) is N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is CVZNGJFLIBNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-12(14(15-2)21-17-8)13(18)16-9-5-10(19-3)7-11(6-9)20-4/h5-7,15H,1-4H3,(H,16,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 35158597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).