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

C15H19N3OS — CID 42459776

IUPACN-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCOc1ccccc1/C=N\Nc1nc(C)cs1
InChIInChI=1S/C15H19N3OS/c1-3-4-9-19-14-8-6-5-7-13(14)10-16-18-15-17-12(2)11-20-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18)/b16-10-
InChIKeySMKXCQOELDVWDH-YBEGLDIGSA-N
MW289.40 g/mol
LogP4.08
Rot. Bonds7

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

N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42459776) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID42459776
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCOc1ccccc1/C=N\Nc1nc(C)cs1
InChIInChI=1S/C15H19N3OS/c1-3-4-9-19-14-8-6-5-7-13(14)10-16-18-15-17-12(2)11-20-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18)/b16-10-
InChIKeySMKXCQOELDVWDH-YBEGLDIGSA-N
XLogP4.08
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
N-[[2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618453
N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7231876
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618103
N-[(2-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618803
4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168617285
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[[2-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619104
4-methyl-N-[(4-methyl-3-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168617551
4-methyl-N-[[2-propoxy-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619138

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 42459776) is N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is CCCCOc1ccccc1/C=N\Nc1nc(C)cs1.
What is the InChIKey of N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is SMKXCQOELDVWDH-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-4-9-19-14-8-6-5-7-13(14)10-16-18-15-17-12(2)11-20-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42459776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).