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

C13H16N4O3S — CID 116668043

IUPAC4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccc(OC)cc2OC)s1
InChIInChI=1S/C13H16N4O3S/c1-15-13-17-11(14)10(21-13)12(18)16-8-5-4-7(19-2)6-9(8)20-3/h4-6H,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFZDGRUWKBCGLSZ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.04
Rot. Bonds5

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

4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668043) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668043
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccc(OC)cc2OC)s1
InChIInChI=1S/C13H16N4O3S/c1-15-13-17-11(14)10(21-13)12(18)16-8-5-4-7(19-2)6-9(8)20-3/h4-6H,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFZDGRUWKBCGLSZ-UHFFFAOYSA-N
XLogP2.04
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 102909079
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116668043) is 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2ccc(OC)cc2OC)s1.
What is the InChIKey of 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is FZDGRUWKBCGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-15-13-17-11(14)10(21-13)12(18)16-8-5-4-7(19-2)6-9(8)20-3/h4-6H,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).