N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C18H20N4O2S — CID 9464359

IUPACN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)c1ncc(/C=N\NC(=O)c2oc3ccccc3c2C)s1
InChIInChI=1S/C18H20N4O2S/c1-4-22(5-2)18-19-10-13(25-18)11-20-21-17(23)16-12(3)14-8-6-7-9-15(14)24-16/h6-11H,4-5H2,1-3H3,(H,21,23)/b20-11-
InChIKeyABIZYTRXZGOGTN-JAIQZWGSSA-N
MW356.45 g/mol
LogP3.81
Rot. Bonds6

About N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9464359) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9464359
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)c1ncc(/C=N\NC(=O)c2oc3ccccc3c2C)s1
InChIInChI=1S/C18H20N4O2S/c1-4-22(5-2)18-19-10-13(25-18)11-20-21-17(23)16-12(3)14-8-6-7-9-15(14)24-16/h6-11H,4-5H2,1-3H3,(H,21,23)/b20-11-
InChIKeyABIZYTRXZGOGTN-JAIQZWGSSA-N
XLogP3.81
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176937
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea
CID 1474841
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464743
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
N-[[4-(diethylamino)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1340149
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9464359) is N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)c1ncc(/C=N\NC(=O)c2oc3ccccc3c2C)s1.
What is the InChIKey of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ABIZYTRXZGOGTN-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-22(5-2)18-19-10-13(25-18)11-20-21-17(23)16-12(3)14-8-6-7-9-15(14)24-16/h6-11H,4-5H2,1-3H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).