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

C17H18N4O2S2 — CID 1117190

IUPACN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1
InChIInChI=1S/C17H18N4O2S2/c1-4-14(22)21-17-18-10(2)15(25-17)12-9-24-16(20-12)19-11-7-5-6-8-13(11)23-3/h5-9H,4H2,1-3H3,(H,19,20)(H,18,21,22)
InChIKeyKEQIERQAQHNNBZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.68
Rot. Bonds6

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

N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 1117190) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID1117190
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1
InChIInChI=1S/C17H18N4O2S2/c1-4-14(22)21-17-18-10(2)15(25-17)12-9-24-16(20-12)19-11-7-5-6-8-13(11)23-3/h5-9H,4H2,1-3H3,(H,19,20)(H,18,21,22)
InChIKeyKEQIERQAQHNNBZ-UHFFFAOYSA-N
XLogP4.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.68
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-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (CID 1117190) is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1.
What is the InChIKey of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is KEQIERQAQHNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-4-14(22)21-17-18-10(2)15(25-17)12-9-24-16(20-12)19-11-7-5-6-8-13(11)23-3/h5-9H,4H2,1-3H3,(H,19,20)(H,18,21,22).
What are the key properties of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1117190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).