2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C14H17N3O2S — CID 2438786

IUPAC2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(NCc2ccccc2OC)nc1C
InChIInChI=1S/C14H17N3O2S/c1-9-12(13(18)15-2)20-14(17-9)16-8-10-6-4-5-7-11(10)19-3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAXRVEZMFCNHYGU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.43
Rot. Bonds5

About 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 2438786) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID2438786
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(NCc2ccccc2OC)nc1C
InChIInChI=1S/C14H17N3O2S/c1-9-12(13(18)15-2)20-14(17-9)16-8-10-6-4-5-7-11(10)19-3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAXRVEZMFCNHYGU-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 2438786) is 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(NCc2ccccc2OC)nc1C.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is AXRVEZMFCNHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-12(13(18)15-2)20-14(17-9)16-8-10-6-4-5-7-11(10)19-3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2438786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).