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

C19H22N4O2S2 — CID 11958460

IUPACN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCOc1ccccc1Nc1nc(-c2sc(NC(=O)CC(C)C)nc2C)cs1
InChIInChI=1S/C19H22N4O2S2/c1-11(2)9-16(24)23-19-20-12(3)17(27-19)14-10-26-18(22-14)21-13-7-5-6-8-15(13)25-4/h5-8,10-11H,9H2,1-4H3,(H,21,22)(H,20,23,24)
InChIKeyBDLPMFQXHUYZJK-UHFFFAOYSA-N
MW402.55 g/mol
LogP5.31
Rot. Bonds7

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

N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 11958460) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID11958460
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]-3-methylbutanamide
SMILESCOc1ccccc1Nc1nc(-c2sc(NC(=O)CC(C)C)nc2C)cs1
InChIInChI=1S/C19H22N4O2S2/c1-11(2)9-16(24)23-19-20-12(3)17(27-19)14-10-26-18(22-14)21-13-7-5-6-8-15(13)25-4/h5-8,10-11H,9H2,1-4H3,(H,21,22)(H,20,23,24)
InChIKeyBDLPMFQXHUYZJK-UHFFFAOYSA-N
XLogP5.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
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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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
5-(2-(2-Methoxyphenylamino)thiazol-4-yl)-4-methylthiazol-2-amine
CID 3120507
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
CFTR corrector 12
CID 11958611
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
(2-Methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine
CID 785027
N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 972358
N-{2-[(2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide hydrobromide
CID 1117191
N-{2-[(2-ethoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1144665
N~2~-(5-chloro-2-methoxyphenyl)-4'-methyl-4,5'-bi-1,3-thiazole-2,2'-diamine
CID 1144668
ST075396
CID 1144671
N-(2-((2,5-Dimethoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)propionamide
CID 1144688

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]-3-methylbutanamide?
The IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide (CID 11958460) is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide is COc1ccccc1Nc1nc(-c2sc(NC(=O)CC(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]-3-methylbutanamide?
The InChIKey is BDLPMFQXHUYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-11(2)9-16(24)23-19-20-12(3)17(27-19)14-10-26-18(22-14)21-13-7-5-6-8-15(13)25-4/h5-8,10-11H,9H2,1-4H3,(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]-3-methylbutanamide?
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 402.55 g/mol, XLogP of 5.31, 7 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]-3-methylbutanamide is sourced from PubChem (CID 11958460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).