N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

C14H17N3OS — CID 27277699

IUPACN-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1cccc(/C=N\Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C14H17N3OS/c1-4-18-13-7-5-6-12(8-13)9-15-17-14-16-10(2)11(3)19-14/h5-9H,4H2,1-3H3,(H,16,17)/b15-9-
InChIKeyVTJBACUGRZGUBY-DHDCSXOGSA-N
MW275.38 g/mol
LogP3.60
Rot. Bonds5

About N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 27277699) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID27277699
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1cccc(/C=N\Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C14H17N3OS/c1-4-18-13-7-5-6-12(8-13)9-15-17-14-16-10(2)11(3)19-14/h5-9H,4H2,1-3H3,(H,16,17)/b15-9-
InChIKeyVTJBACUGRZGUBY-DHDCSXOGSA-N
XLogP3.60
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.60
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

4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 2787959
ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 27275305
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110535551
[4-[(Z)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenyl] 3-methylbenzoate
CID 126031917
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110533418
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 7228787

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 27277699) is N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is CCOc1cccc(/C=N\Nc2nc(C)c(C)s2)c1.
What is the InChIKey of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VTJBACUGRZGUBY-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-18-13-7-5-6-12(8-13)9-15-17-14-16-10(2)11(3)19-14/h5-9H,4H2,1-3H3,(H,16,17)/b15-9-.
What are the key properties of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 27277699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).