2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C14H16N4OS — CID 2894078

IUPAC2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N=CN(C)C)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)
InChIKeyYUCOSNPWCIXKKP-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.93
Rot. Bonds4

About 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2894078) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2894078
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N=CN(C)C)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)
InChIKeyYUCOSNPWCIXKKP-UHFFFAOYSA-N
XLogP2.93
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 2894078) is 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(N=CN(C)C)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YUCOSNPWCIXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19).
What are the key properties of 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylideneamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2894078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).