3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C18H23N3O3S — CID 2562343

IUPAC3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1OC
InChIInChI=1S/C18H23N3O3S/c1-21-9-8-13-16(11-21)25-18(19-13)20-17(22)7-5-12-4-6-14(23-2)15(10-12)24-3/h4,6,10H,5,7-9,11H2,1-3H3,(H,19,20,22)
InChIKeyNIASCAWGTSUQSU-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.72
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 2562343) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID2562343
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1OC
InChIInChI=1S/C18H23N3O3S/c1-21-9-8-13-16(11-21)25-18(19-13)20-17(22)7-5-12-4-6-14(23-2)15(10-12)24-3/h4,6,10H,5,7-9,11H2,1-3H3,(H,19,20,22)
InChIKeyNIASCAWGTSUQSU-UHFFFAOYSA-N
XLogP2.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 737692
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 2166356
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945485
4-[(3,4,5-Trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 10544781
2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1222836
N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide
CID 2124858
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
3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 2552802

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 2562343) is 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is COc1ccc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is NIASCAWGTSUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21-9-8-13-16(11-21)25-18(19-13)20-17(22)7-5-12-4-6-14(23-2)15(10-12)24-3/h4,6,10H,5,7-9,11H2,1-3H3,(H,19,20,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 2562343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).