N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide

C18H23N3O3S — CID 8909934

IUPACN-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(-c2nc(CN(C)CC(=O)NC3CC3)cs2)cc1OC
InChIInChI=1S/C18H23N3O3S/c1-21(10-17(22)19-13-5-6-13)9-14-11-25-18(20-14)12-4-7-15(23-2)16(8-12)24-3/h4,7-8,11,13H,5-6,9-10H2,1-3H3,(H,19,22)
InChIKeyLGNRBIAXVRQCFW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.54
Rot. Bonds8

About N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide

N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide (PubChem CID 8909934) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
PubChem CID8909934
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(-c2nc(CN(C)CC(=O)NC3CC3)cs2)cc1OC
InChIInChI=1S/C18H23N3O3S/c1-21(10-17(22)19-13-5-6-13)9-14-11-25-18(20-14)12-4-7-15(23-2)16(8-12)24-3/h4,7-8,11,13H,5-6,9-10H2,1-3H3,(H,19,22)
InChIKeyLGNRBIAXVRQCFW-UHFFFAOYSA-N
XLogP2.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909955
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250444
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601835
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56569123
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120601834
N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide
CID 8795767
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 40789617
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide (CID 8909934) is N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide is COc1ccc(-c2nc(CN(C)CC(=O)NC3CC3)cs2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The InChIKey is LGNRBIAXVRQCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21(10-17(22)19-13-5-6-13)9-14-11-25-18(20-14)12-4-7-15(23-2)16(8-12)24-3/h4,7-8,11,13H,5-6,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 8909934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).