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

C18H20N4O2S2 — CID 71478258

IUPACN-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC(C)C)n2)s1
InChIInChI=1S/C18H20N4O2S2/c1-10(2)24-15-8-6-5-7-13(15)21-17-22-14(9-25-17)16-11(3)19-18(26-16)20-12(4)23/h5-10H,1-4H3,(H,21,22)(H,19,20,23)
InChIKeyDGHARKYFXZDRBG-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.06
Rot. Bonds6

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

N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71478258) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID71478258
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC(C)C)n2)s1
InChIInChI=1S/C18H20N4O2S2/c1-10(2)24-15-8-6-5-7-13(15)21-17-22-14(9-25-17)16-11(3)19-18(26-16)20-12(4)23/h5-10H,1-4H3,(H,21,22)(H,19,20,23)
InChIKeyDGHARKYFXZDRBG-UHFFFAOYSA-N
XLogP5.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 71478258) is N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC(C)C)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DGHARKYFXZDRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-10(2)24-15-8-6-5-7-13(15)21-17-22-14(9-25-17)16-11(3)19-18(26-16)20-12(4)23/h5-10H,1-4H3,(H,21,22)(H,19,20,23).
What are the key properties of N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71478258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).