2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

C13H14N4OS — CID 727684

IUPAC2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C=NNC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C13H14N4OS/c1-8-4-3-5-10(6-8)7-15-17-12(18)11-9(2)16-13(14)19-11/h3-7H,1-2H3,(H2,14,16)(H,17,18)
InChIKeyLMHGURZCKQDPPR-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 727684) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID727684
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C=NNC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C13H14N4OS/c1-8-4-3-5-10(6-8)7-15-17-12(18)11-9(2)16-13(14)19-11/h3-7H,1-2H3,(H2,14,16)(H,17,18)
InChIKeyLMHGURZCKQDPPR-UHFFFAOYSA-N
XLogP2.11
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
4-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7894601
2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 5398429
2-amino-4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 5435424
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5397151
2-amino-N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510256
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-amino-N-[(Z)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510201
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 727684) is 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is Cc1cccc(C=NNC(=O)c2sc(N)nc2C)c1.
What is the InChIKey of 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is LMHGURZCKQDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8-4-3-5-10(6-8)7-15-17-12(18)11-9(2)16-13(14)19-11/h3-7H,1-2H3,(H2,14,16)(H,17,18).
What are the key properties of 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(3-methylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 727684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).