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

C21H18N4O2S2 — CID 11958570

IUPACN-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1
InChIInChI=1S/C21H18N4O2S2/c1-13-18(29-21(22-13)25-19(26)14-7-4-3-5-8-14)17-12-28-20(24-17)23-15-9-6-10-16(11-15)27-2/h3-12H,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyIHVOBIFSUVQDNT-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.58
Rot. Bonds6

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

N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 11958570) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID11958570
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC NameN-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1
InChIInChI=1S/C21H18N4O2S2/c1-13-18(29-21(22-13)25-19(26)14-7-4-3-5-8-14)17-12-28-20(24-17)23-15-9-6-10-16(11-15)27-2/h3-12H,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyIHVOBIFSUVQDNT-UHFFFAOYSA-N
XLogP5.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 135460621
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N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
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ST075396
CID 1144671
N-(2-((2,5-Dimethoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)propionamide
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N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]heptanamide
CID 11958451
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CID 655046
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CID 746912

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 11958570) is N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1.
What is the InChIKey of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is IHVOBIFSUVQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-13-18(29-21(22-13)25-19(26)14-7-4-3-5-8-14)17-12-28-20(24-17)23-15-9-6-10-16(11-15)27-2/h3-12H,1-2H3,(H,23,24)(H,22,25,26).
What are the key properties of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 422.54 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 11958570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).