N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C19H23N5OS2 — CID 9231822

IUPACN-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC[C@@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)Cc3csc(C)n3)cc2)S1
InChIInChI=1S/C19H23N5OS2/c1-4-17-10-20-19(27-17)22-15-7-5-14(6-8-15)12(2)23-24-18(25)9-16-11-26-13(3)21-16/h5-8,11,17H,4,9-10H2,1-3H3,(H,20,22)(H,24,25)/b23-12-/t17-/m1/s1
InChIKeyKZDVMLXXRZHQHU-NSTHGIQOSA-N
MW401.56 g/mol
LogP3.83
Rot. Bonds6

About N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9231822) has the molecular formula C19H23N5OS2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9231822
Molecular FormulaC19H23N5OS2
Molecular Weight401.56 g/mol
Exact Mass401.13
IUPAC NameN-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC[C@@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)Cc3csc(C)n3)cc2)S1
InChIInChI=1S/C19H23N5OS2/c1-4-17-10-20-19(27-17)22-15-7-5-14(6-8-15)12(2)23-24-18(25)9-16-11-26-13(3)21-16/h5-8,11,17H,4,9-10H2,1-3H3,(H,20,22)(H,24,25)/b23-12-/t17-/m1/s1
InChIKeyKZDVMLXXRZHQHU-NSTHGIQOSA-N
XLogP3.83
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]carbamate
CID 9211812
4-[(2Z)-2-[1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylidene]hydrazinyl]benzoic acid
CID 9194583
1-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-methylthiourea
CID 9212018
N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 9215333
N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide
CID 9234504
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
CID 9463684

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9231822) is N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CC[C@@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)Cc3csc(C)n3)cc2)S1.
What is the InChIKey of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KZDVMLXXRZHQHU-NSTHGIQOSA-N. The full InChI is InChI=1S/C19H23N5OS2/c1-4-17-10-20-19(27-17)22-15-7-5-14(6-8-15)12(2)23-24-18(25)9-16-11-26-13(3)21-16/h5-8,11,17H,4,9-10H2,1-3H3,(H,20,22)(H,24,25)/b23-12-/t17-/m1/s1.
What are the key properties of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 401.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9231822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).