N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

C17H23N5O3S — CID 42813224

IUPACN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NCC(=O)NCCN(C)C)cs2)cc1
InChIInChI=1S/C17H23N5O3S/c1-22(2)9-8-18-15(23)10-19-16(24)14-11-26-17(21-14)20-12-4-6-13(25-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,21)
InChIKeyLIOLPYOTORAMPM-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.30
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 42813224) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID42813224
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NCC(=O)NCCN(C)C)cs2)cc1
InChIInChI=1S/C17H23N5O3S/c1-22(2)9-8-18-15(23)10-19-16(24)14-11-26-17(21-14)20-12-4-6-13(25-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,21)
InChIKeyLIOLPYOTORAMPM-UHFFFAOYSA-N
XLogP1.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813506
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
2-(4-methoxyanilino)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813235
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
2-(4-methoxyanilino)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120830754
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
CID 1096806

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 42813224) is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NCC(=O)NCCN(C)C)cs2)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is LIOLPYOTORAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-22(2)9-8-18-15(23)10-19-16(24)14-11-26-17(21-14)20-12-4-6-13(25-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,21).
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).