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

C15H14N4OS2 — CID 3112396

IUPACN-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1
InChIInChI=1S/C15H14N4OS2/c1-9-13(22-15(16-9)17-10(2)20)12-8-21-14(19-12)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,19)(H,16,17,20)
InChIKeySDACBVNETUKBAH-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.28
Rot. Bonds4

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

N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 3112396) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID3112396
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1
InChIInChI=1S/C15H14N4OS2/c1-9-13(22-15(16-9)17-10(2)20)12-8-21-14(19-12)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,19)(H,16,17,20)
InChIKeySDACBVNETUKBAH-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
N-(1,3-benzothiazol-2-yl)-7-sulfanylheptanamide
CID 11346934
N-(2-Amino-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 40480560
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1092472
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
N-[5-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 1186941
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide
CID 1632898
Acetamide, N-2-benzothiazolyl-
CID 350459

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 3112396) is N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1.
What is the InChIKey of N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SDACBVNETUKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-9-13(22-15(16-9)17-10(2)20)12-8-21-14(19-12)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3112396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).