N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide

C16H19N3O3S — CID 11953491

IUPACN-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2csc(NC(C)C)n2)c1
InChIInChI=1S/C16H19N3O3S/c1-9(2)17-16-19-14(8-23-16)15(21)18-13-7-11(22-4)5-6-12(13)10(3)20/h5-9H,1-4H3,(H,17,19)(H,18,21)
InChIKeyBWVPYGAXXBPWTF-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.43
Rot. Bonds6

About N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide

N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11953491) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11953491
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2csc(NC(C)C)n2)c1
InChIInChI=1S/C16H19N3O3S/c1-9(2)17-16-19-14(8-23-16)15(21)18-13-7-11(22-4)5-6-12(13)10(3)20/h5-9H,1-4H3,(H,17,19)(H,18,21)
InChIKeyBWVPYGAXXBPWTF-UHFFFAOYSA-N
XLogP3.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide (CID 11953491) is N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2csc(NC(C)C)n2)c1.
What is the InChIKey of N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is BWVPYGAXXBPWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9(2)17-16-19-14(8-23-16)15(21)18-13-7-11(22-4)5-6-12(13)10(3)20/h5-9H,1-4H3,(H,17,19)(H,18,21).
What are the key properties of N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-methoxyphenyl)-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11953491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).