N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide

C18H20N4OS2 — CID 11958582

IUPACN-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3C)n2)s1
InChIInChI=1S/C18H20N4OS2/c1-4-7-15(23)22-18-19-12(3)16(25-18)14-10-24-17(21-14)20-13-9-6-5-8-11(13)2/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyAUDOEQZVGSMPAT-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.37
Rot. Bonds6

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

N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide (PubChem CID 11958582) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide
PubChem CID11958582
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC NameN-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3C)n2)s1
InChIInChI=1S/C18H20N4OS2/c1-4-7-15(23)22-18-19-12(3)16(25-18)14-10-24-17(21-14)20-13-9-6-5-8-11(13)2/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyAUDOEQZVGSMPAT-UHFFFAOYSA-N
XLogP5.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide (CID 11958582) is N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3C)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is AUDOEQZVGSMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-4-7-15(23)22-18-19-12(3)16(25-18)14-10-24-17(21-14)20-13-9-6-5-8-11(13)2/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,19,22,23).
What are the key properties of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide?
N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 372.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 11958582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).