N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

C25H29N3O6S — CID 2468931

IUPACN-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)C(C)C)c1
InChIInChI=1S/C25H29N3O6S/c1-14(2)22(27-23(29)15-9-17(32-4)11-18(10-15)33-5)24(30)28-25-26-20(13-35-25)19-12-16(31-3)7-8-21(19)34-6/h7-14,22H,1-6H3,(H,27,29)(H,26,28,30)/t22-/m0/s1
InChIKeyCEXGUVZGDPKWOT-QFIPXVFZSA-N
MW499.59 g/mol
LogP4.24
Rot. Bonds10

About N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 2468931) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
PubChem CID2468931
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC NameN-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)C(C)C)c1
InChIInChI=1S/C25H29N3O6S/c1-14(2)22(27-23(29)15-9-17(32-4)11-18(10-15)33-5)24(30)28-25-26-20(13-35-25)19-12-16(31-3)7-8-21(19)34-6/h7-14,22H,1-6H3,(H,27,29)(H,26,28,30)/t22-/m0/s1
InChIKeyCEXGUVZGDPKWOT-QFIPXVFZSA-N
XLogP4.24
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 5282338
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CID 73670361
3-methoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670363
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N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2091391
N-[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2486995
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2515908
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4458112
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 5173083
4-methoxy-N-(4-(2-((3-methoxyphenethyl)amino)-2-oxoethyl)thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (CID 2468931) is N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)C(C)C)c1.
What is the InChIKey of N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is CEXGUVZGDPKWOT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-14(2)22(27-23(29)15-9-17(32-4)11-18(10-15)33-5)24(30)28-25-26-20(13-35-25)19-12-16(31-3)7-8-21(19)34-6/h7-14,22H,1-6H3,(H,27,29)(H,26,28,30)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 499.59 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2468931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).