N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide

C17H19N3O4S — CID 17424042

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2nc(CC(N)=O)cs2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O4S/c1-4-5-10-6-11(7-13(23-2)15(10)24-3)16(22)20-17-19-12(9-25-17)8-14(18)21/h4,6-7,9H,1,5,8H2,2-3H3,(H2,18,21)(H,19,20,22)
InChIKeyMFDCKYGYFIAWFH-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.17
Rot. Bonds8

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 17424042) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID17424042
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2nc(CC(N)=O)cs2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O4S/c1-4-5-10-6-11(7-13(23-2)15(10)24-3)16(22)20-17-19-12(9-25-17)8-14(18)21/h4,6-7,9H,1,5,8H2,2-3H3,(H2,18,21)(H,19,20,22)
InChIKeyMFDCKYGYFIAWFH-UHFFFAOYSA-N
XLogP2.17
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
methyl 2-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103816
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-cyclopentyloxy-3-methoxybenzamide
CID 55793064
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
ethyl 2-[2-[2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623696
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
ethyl 2-[2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
CID 2314297
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 17424042) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2nc(CC(N)=O)cs2)cc(OC)c1OC.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is MFDCKYGYFIAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-5-10-6-11(7-13(23-2)15(10)24-3)16(22)20-17-19-12(9-25-17)8-14(18)21/h4,6-7,9H,1,5,8H2,2-3H3,(H2,18,21)(H,19,20,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 17424042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).