N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C18H21ClN4O3S — CID 8860572

IUPACN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C18H21ClN4O3S/c1-11(14-10-13(19)4-5-15(14)25-3)21-22-17(24)16-12(2)20-18(27-16)23-6-8-26-9-7-23/h4-5,10H,6-9H2,1-3H3,(H,22,24)/b21-11-
InChIKeyMJTDNBFZALLZJS-NHDPSOOVSA-N
MW408.91 g/mol
LogP3.10
Rot. Bonds5

About N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 8860572) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID8860572
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C18H21ClN4O3S/c1-11(14-10-13(19)4-5-15(14)25-3)21-22-17(24)16-12(2)20-18(27-16)23-6-8-26-9-7-23/h4-5,10H,6-9H2,1-3H3,(H,22,24)/b21-11-
InChIKeyMJTDNBFZALLZJS-NHDPSOOVSA-N
XLogP3.10
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.10
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 8860572) is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is COc1ccc(Cl)cc1/C(C)=N\NC(=O)c1sc(N2CCOCC2)nc1C.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MJTDNBFZALLZJS-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-11(14-10-13(19)4-5-15(14)25-3)21-22-17(24)16-12(2)20-18(27-16)23-6-8-26-9-7-23/h4-5,10H,6-9H2,1-3H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 8860572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).