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

C19H22N4O2S2 — CID 11958501

IUPACN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1
InChIInChI=1S/C19H22N4O2S2/c1-11-15(27-18(20-11)23-16(24)19(2,3)4)13-10-26-17(22-13)21-12-8-6-7-9-14(12)25-5/h6-10H,1-5H3,(H,21,22)(H,20,23,24)
InChIKeyAPELATXVYUQGPA-UHFFFAOYSA-N
MW402.55 g/mol
LogP5.31
Rot. Bonds5

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

N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 11958501) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID11958501
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1
InChIInChI=1S/C19H22N4O2S2/c1-11-15(27-18(20-11)23-16(24)19(2,3)4)13-10-26-17(22-13)21-12-8-6-7-9-14(12)25-5/h6-10H,1-5H3,(H,21,22)(H,20,23,24)
InChIKeyAPELATXVYUQGPA-UHFFFAOYSA-N
XLogP5.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 55.31
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 11958501) is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1.
What is the InChIKey of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is APELATXVYUQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-11-15(27-18(20-11)23-16(24)19(2,3)4)13-10-26-17(22-13)21-12-8-6-7-9-14(12)25-5/h6-10H,1-5H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 402.55 g/mol, XLogP of 5.31, 5 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 11958501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).