5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid

C14H18N2O4S — CID 154905260

IUPAC5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid
SMILESCNc1nc(C)c(-c2ccc(OC)cc2OC)s1.O=CO
InChIInChI=1S/C13H16N2O2S.CH2O2/c1-8-12(18-13(14-2)15-8)10-6-5-9(16-3)7-11(10)17-4;2-1-3/h5-7H,1-4H3,(H,14,15);1H,(H,2,3)
InChIKeyMQNFWVXRNIRBSI-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.88
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid

5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid (PubChem CID 154905260) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid
PubChem CID154905260
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid
SMILESCNc1nc(C)c(-c2ccc(OC)cc2OC)s1.O=CO
InChIInChI=1S/C13H16N2O2S.CH2O2/c1-8-12(18-13(14-2)15-8)10-6-5-9(16-3)7-11(10)17-4;2-1-3/h5-7H,1-4H3,(H,14,15);1H,(H,2,3)
InChIKeyMQNFWVXRNIRBSI-UHFFFAOYSA-N
XLogP2.88
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
CID 134315655
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668043
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-3-sulfanylurea
CID 87267219
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 2345637
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46667956

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid (CID 154905260) is 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid is CNc1nc(C)c(-c2ccc(OC)cc2OC)s1.O=CO.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid?
The InChIKey is MQNFWVXRNIRBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S.CH2O2/c1-8-12(18-13(14-2)15-8)10-6-5-9(16-3)7-11(10)17-4;2-1-3/h5-7H,1-4H3,(H,14,15);1H,(H,2,3).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid?
5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid has a molecular weight of 310.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid is sourced from PubChem (CID 154905260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).