2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide

C12H14N4OS — CID 162738403

IUPAC2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1sc(C)nc1C)c1ccc[nH]1
InChIInChI=1S/C12H14N4OS/c1-7(10-5-4-6-13-10)15-16-12(17)11-8(2)14-9(3)18-11/h4-6,13H,1-3H3,(H,16,17)/b15-7+
InChIKeyIRRONIOGIHUTOX-VIZOYTHASA-N
MW262.34 g/mol
LogP2.24
Rot. Bonds3

About 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 162738403) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID162738403
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1sc(C)nc1C)c1ccc[nH]1
InChIInChI=1S/C12H14N4OS/c1-7(10-5-4-6-13-10)15-16-12(17)11-8(2)14-9(3)18-11/h4-6,13H,1-3H3,(H,16,17)/b15-7+
InChIKeyIRRONIOGIHUTOX-VIZOYTHASA-N
XLogP2.24
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-amino-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135797119
2-bromo-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzamide
CID 135775128
2-(4-ethylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-4-carboxamide
CID 135776908
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025434
5-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylate
CID 8872528
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 135749613
5-methyl-1-(4-methylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]triazole-4-carboxamide;hydrate
CID 139052371
2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 20997820
methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110461118
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026979
methyl N-[1-(1H-pyrrol-2-yl)ethylideneamino]carbamodithioate
CID 4284798

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide (CID 162738403) is 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide is C/C(=N\NC(=O)c1sc(C)nc1C)c1ccc[nH]1.
What is the InChIKey of 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is IRRONIOGIHUTOX-VIZOYTHASA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7(10-5-4-6-13-10)15-16-12(17)11-8(2)14-9(3)18-11/h4-6,13H,1-3H3,(H,16,17)/b15-7+.
What are the key properties of 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162738403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).