methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium

C12H12N2OS — CID 59280512

IUPACmethanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
SMILES[CH2-][NH2+]C(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8-10(11(15)13-2)16-12(14-8)9-6-4-3-5-7-9/h3-7H,2,13H2,1H3
InChIKeyIEPKPGGGQIJCLN-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.61
Rot. Bonds2

About methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium

methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium (PubChem CID 59280512) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium.

Molecular Properties

Compound Namemethanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
PubChem CID59280512
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Namemethanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
SMILES[CH2-][NH2+]C(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H12N2OS/c1-8-10(11(15)13-2)16-12(14-8)9-6-4-3-5-7-9/h3-7H,2,13H2,1H3
InChIKeyIEPKPGGGQIJCLN-UHFFFAOYSA-N
XLogP1.61
TPSA46.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998

Frequently Asked Questions

What is the IUPAC name of methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium?
The IUPAC name of methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium (CID 59280512) is methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium.
What is the SMILES notation for methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium?
The canonical SMILES for methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium is [CH2-][NH2+]C(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium?
The InChIKey is IEPKPGGGQIJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-10(11(15)13-2)16-12(14-8)9-6-4-3-5-7-9/h3-7H,2,13H2,1H3.
What are the key properties of methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium?
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium has a molecular weight of 232.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium is sourced from PubChem (CID 59280512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).