N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide

C16H16N4O2S2 — CID 1117200

IUPACN-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C16H16N4O2S2/c1-3-13(22)20-16-17-9(2)14(24-16)12-8-23-15(19-12)18-10-5-4-6-11(21)7-10/h4-8,21H,3H2,1-2H3,(H,18,19)(H,17,20,22)
InChIKeySSKDIYUXTMPSAH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.37
Rot. Bonds5

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

N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 1117200) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID1117200
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C16H16N4O2S2/c1-3-13(22)20-16-17-9(2)14(24-16)12-8-23-15(19-12)18-10-5-4-6-11(21)7-10/h4-8,21H,3H2,1-2H3,(H,18,19)(H,17,20,22)
InChIKeySSKDIYUXTMPSAH-UHFFFAOYSA-N
XLogP4.37
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (CID 1117200) is N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1.
What is the InChIKey of N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is SSKDIYUXTMPSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-3-13(22)20-16-17-9(2)14(24-16)12-8-23-15(19-12)18-10-5-4-6-11(21)7-10/h4-8,21H,3H2,1-2H3,(H,18,19)(H,17,20,22).
What are the key properties of N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).