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

C18H18N4O2S2 — CID 2230838

IUPACN-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1
InChIInChI=1S/C18H18N4O2S2/c1-4-15(24)22-18-19-10(2)16(26-18)14-9-25-17(21-14)20-13-7-5-6-12(8-13)11(3)23/h5-9H,4H2,1-3H3,(H,20,21)(H,19,22,24)
InChIKeyXJFZFDFEAZHSBF-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.87
Rot. Bonds6

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

N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 2230838) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID2230838
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1
InChIInChI=1S/C18H18N4O2S2/c1-4-15(24)22-18-19-10(2)16(26-18)14-9-25-17(21-14)20-13-7-5-6-12(8-13)11(3)23/h5-9H,4H2,1-3H3,(H,20,21)(H,19,22,24)
InChIKeyXJFZFDFEAZHSBF-UHFFFAOYSA-N
XLogP4.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (CID 2230838) is N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1.
What is the InChIKey of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is XJFZFDFEAZHSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-4-15(24)22-18-19-10(2)16(26-18)14-9-25-17(21-14)20-13-7-5-6-12(8-13)11(3)23/h5-9H,4H2,1-3H3,(H,20,21)(H,19,22,24).
What are the key properties of N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 386.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).