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

C17H16N4OS — CID 24938684

IUPACN-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
SMILESC=CCn1c(C)cs/c1=N\NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H16N4OS/c1-3-10-21-12(2)11-23-17(21)20-19-16(22)15-9-8-13-6-4-5-7-14(13)18-15/h3-9,11H,1,10H2,2H3,(H,19,22)/b20-17-
InChIKeyNUMOSOBWIZOJBZ-JZJYNLBNSA-N
MW324.41 g/mol
LogP2.84
Rot. Bonds4

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

N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide (PubChem CID 24938684) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
PubChem CID24938684
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
SMILESC=CCn1c(C)cs/c1=N\NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H16N4OS/c1-3-10-21-12(2)11-23-17(21)20-19-16(22)15-9-8-13-6-4-5-7-14(13)18-15/h3-9,11H,1,10H2,2H3,(H,19,22)/b20-17-
InChIKeyNUMOSOBWIZOJBZ-JZJYNLBNSA-N
XLogP2.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
CID 24938564
N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide
CID 23848032
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135684010
(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 87804391
N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide
CID 24938682
1-phenyl-3-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]urea
CID 5190245
N-[(E)-[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-methylbenzamide
CID 98212283
1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea
CID 4146074
(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733892
N-[(E)-2-quinolin-2-ylethylideneamino]quinoline-2-carboxamide
CID 177489963
4-bromo-N-[(E)-[4-(4-bromophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide;hydrobromide
CID 66557607

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
The IUPAC name of N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide (CID 24938684) is N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide is C=CCn1c(C)cs/c1=N\NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
The InChIKey is NUMOSOBWIZOJBZ-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-3-10-21-12(2)11-23-17(21)20-19-16(22)15-9-8-13-6-4-5-7-14(13)18-15/h3-9,11H,1,10H2,2H3,(H,19,22)/b20-17-.
What are the key properties of N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide?
N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide is sourced from PubChem (CID 24938684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).