N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide

C21H18N4OS — CID 24938564

IUPACN-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
SMILESCc1cs/c(=N\NC(=O)c2ccc3ccccc3n2)n1Cc1ccccc1
InChIInChI=1S/C21H18N4OS/c1-15-14-27-21(25(15)13-16-7-3-2-4-8-16)24-23-20(26)19-12-11-17-9-5-6-10-18(17)22-19/h2-12,14H,13H2,1H3,(H,23,26)/b24-21-
InChIKeySDBVHKZOADZSQK-FLFQWRMESA-N
MW374.47 g/mol
LogP3.70
Rot. Bonds4

About N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide

N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide (PubChem CID 24938564) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
PubChem CID24938564
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
SMILESCc1cs/c(=N\NC(=O)c2ccc3ccccc3n2)n1Cc1ccccc1
InChIInChI=1S/C21H18N4OS/c1-15-14-27-21(25(15)13-16-7-3-2-4-8-16)24-23-20(26)19-12-11-17-9-5-6-10-18(17)22-19/h2-12,14H,13H2,1H3,(H,23,26)/b24-21-
InChIKeySDBVHKZOADZSQK-FLFQWRMESA-N
XLogP3.70
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
CID 24938684
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
CID 9118345
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
3-benzyl-4-methyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45125354
ethyl 2-[4-chloro-2-oxo-5-[(E)-(quinoline-2-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]acetate
CID 16832706
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092
N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
CID 175113669
N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide
CID 24938682
2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
CID 58191384
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
The IUPAC name of N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide (CID 24938564) is N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide is Cc1cs/c(=N\NC(=O)c2ccc3ccccc3n2)n1Cc1ccccc1.
What is the InChIKey of N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
The InChIKey is SDBVHKZOADZSQK-FLFQWRMESA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-14-27-21(25(15)13-16-7-3-2-4-8-16)24-23-20(26)19-12-11-17-9-5-6-10-18(17)22-19/h2-12,14H,13H2,1H3,(H,23,26)/b24-21-.
What are the key properties of N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide is sourced from PubChem (CID 24938564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).