N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C16H16N4OS2 — CID 2898142

IUPACN-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C)cc3)n2)s1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)19-15-20-13(8-22-15)14-10(2)17-16(23-14)18-11(3)21/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyFLVVAYJIHWYZCI-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.59
Rot. Bonds4

About N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2898142) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID2898142
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C)cc3)n2)s1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)19-15-20-13(8-22-15)14-10(2)17-16(23-14)18-11(3)21/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyFLVVAYJIHWYZCI-UHFFFAOYSA-N
XLogP4.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 2898142) is N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C)cc3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FLVVAYJIHWYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)19-15-20-13(8-22-15)14-10(2)17-16(23-14)18-11(3)21/h4-8H,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 344.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2898142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).