N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C13H15N3S2 — CID 168617991

IUPACN-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCSc1ccc(C=NNc2nc(C)cs2)cc1
InChIInChI=1S/C13H15N3S2/c1-3-17-12-6-4-11(5-7-12)8-14-16-13-15-10(2)9-18-13/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyNBYYHSFDKFNXAQ-UHFFFAOYSA-N
MW277.42 g/mol
LogP4.01
Rot. Bonds5

About N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617991) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617991
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC NameN-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCSc1ccc(C=NNc2nc(C)cs2)cc1
InChIInChI=1S/C13H15N3S2/c1-3-17-12-6-4-11(5-7-12)8-14-16-13-15-10(2)9-18-13/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyNBYYHSFDKFNXAQ-UHFFFAOYSA-N
XLogP4.01
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
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

N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
N-[[4-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618079
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619483
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
N-[[4-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617461
N-[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617223
N-[[4-(4-chlorophenyl)sulfonylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617650
N-[[4-(2-chlorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617180

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617991) is N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is CCSc1ccc(C=NNc2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NBYYHSFDKFNXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-3-17-12-6-4-11(5-7-12)8-14-16-13-15-10(2)9-18-13/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 277.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).