4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol

C15H19N3OS — CID 135492174

IUPAC4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccc(O)cc1
InChIInChI=1S/C15H19N3OS/c1-10(11-5-7-12(19)8-6-11)17-18-14-16-13(9-20-14)15(2,3)4/h5-9,19H,1-4H3,(H,16,18)/b17-10+
InChIKeyLTNAFIFKJTYPQY-LICLKQGHSA-N
MW289.40 g/mol
LogP3.98
Rot. Bonds3

About 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol

4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol (PubChem CID 135492174) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol
PubChem CID135492174
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccc(O)cc1
InChIInChI=1S/C15H19N3OS/c1-10(11-5-7-12(19)8-6-11)17-18-14-16-13(9-20-14)15(2,3)4/h5-9,19H,1-4H3,(H,16,18)/b17-10+
InChIKeyLTNAFIFKJTYPQY-LICLKQGHSA-N
XLogP3.98
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
Benzaldehyde, 4-hydroxy-, (4-tert-butyl-2-thiazolyl)hydrazone
CID 135492169
3-(2-Amino-1,3-thiazol-4-yl)phenol
CID 1497786
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 10399728
1-(3-Hydroxyphenyl)ethanone (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 9648256
(1E)-1-(4-hydroxyphenyl)ethanone [4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazone
CID 136187015
4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136961372
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784
2-[4-(4-Hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 49860962
4-{(E)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135454468
N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 178301175

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol (CID 135492174) is 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol is C/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is LTNAFIFKJTYPQY-LICLKQGHSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(11-5-7-12(19)8-6-11)17-18-14-16-13(9-20-14)15(2,3)4/h5-9,19H,1-4H3,(H,16,18)/b17-10+.
What are the key properties of 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol?
4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 289.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135492174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).