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

C18H20N4O2S2 — CID 1144665

IUPACN-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccccc1Nc1nc(-c2sc(NC(=O)CC)nc2C)cs1
InChIInChI=1S/C18H20N4O2S2/c1-4-15(23)22-18-19-11(3)16(26-18)13-10-25-17(21-13)20-12-8-6-7-9-14(12)24-5-2/h6-10H,4-5H2,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyZNDHWIRRSGUUEU-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.07
Rot. Bonds7

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

N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 1144665) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID1144665
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccccc1Nc1nc(-c2sc(NC(=O)CC)nc2C)cs1
InChIInChI=1S/C18H20N4O2S2/c1-4-15(23)22-18-19-11(3)16(26-18)13-10-25-17(21-13)20-12-8-6-7-9-14(12)24-5-2/h6-10H,4-5H2,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyZNDHWIRRSGUUEU-UHFFFAOYSA-N
XLogP5.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (CID 1144665) is N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is CCOc1ccccc1Nc1nc(-c2sc(NC(=O)CC)nc2C)cs1.
What is the InChIKey of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZNDHWIRRSGUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-4-15(23)22-18-19-11(3)16(26-18)13-10-25-17(21-13)20-12-8-6-7-9-14(12)24-5-2/h6-10H,4-5H2,1-3H3,(H,20,21)(H,19,22,23).
What are the key properties of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 388.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1144665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).