3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C27H30N4O4S — CID 56597320

IUPAC3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1OC
InChIInChI=1S/C27H30N4O4S/c1-30-13-11-20-24(16-30)36-27(28-20)29-25(32)18-7-4-6-17(14-18)21-8-5-12-31(21)26(33)19-9-10-22(34-2)23(15-19)35-3/h4,6-7,9-10,14-15,21H,5,8,11-13,16H2,1-3H3,(H,28,29,32)/t21-/m1/s1
InChIKeyZGXGPHKGTFHPBL-OAQYLSRUSA-N
MW506.63 g/mol
LogP4.38
Rot. Bonds6

About 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 56597320) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID56597320
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1OC
InChIInChI=1S/C27H30N4O4S/c1-30-13-11-20-24(16-30)36-27(28-20)29-25(32)18-7-4-6-17(14-18)21-8-5-12-31(21)26(33)19-9-10-22(34-2)23(15-19)35-3/h4,6-7,9-10,14-15,21H,5,8,11-13,16H2,1-3H3,(H,28,29,32)/t21-/m1/s1
InChIKeyZGXGPHKGTFHPBL-OAQYLSRUSA-N
XLogP4.38
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide with MolForge

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Related Compounds

ML385
CID 1383822
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
2-Benzo[1,3]dioxol-5-yl-N-{4-[1-(4-fluoro-benzoyl)-2,3-dihydro-1H-indol-5-yl]-5-methyl-thiazol-2-yl}-acetamide
CID 1450426
tert-butyl 2-[[3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 122417290
tert-butyl 2-[[3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 122417291
3,4-dimethoxy-N-{(R)-1-[3-((S)-6-propylamino-4,5,6,7-tetrahydro-benzothiazol-2-ylcarbamoyl)-phenyl]-ethyl}-benzamide
CID 56597183
4-methoxy-3-methyl-N-[(1R)-1-[3-[[(6S)-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]ethyl]benzamide
CID 88561625
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 2329160
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzamide
CID 2329165
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2496855
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2594257

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 56597320) is 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1OC.
What is the InChIKey of 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is ZGXGPHKGTFHPBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-30-13-11-20-24(16-30)36-27(28-20)29-25(32)18-7-4-6-17(14-18)21-8-5-12-31(21)26(33)19-9-10-22(34-2)23(15-19)35-3/h4,6-7,9-10,14-15,21H,5,8,11-13,16H2,1-3H3,(H,28,29,32)/t21-/m1/s1.
What are the key properties of 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 506.63 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 56597320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).