4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C15H19N3OS — CID 168617285

IUPAC4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCCOc1ccc(C)cc1C=NNc1nc(C)cs1
InChIInChI=1S/C15H19N3OS/c1-4-7-19-14-6-5-11(2)8-13(14)9-16-18-15-17-12(3)10-20-15/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyNNASTLPHHSJNAI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.99
Rot. Bonds6

About 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168617285) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168617285
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCCOc1ccc(C)cc1C=NNc1nc(C)cs1
InChIInChI=1S/C15H19N3OS/c1-4-7-19-14-6-5-11(2)8-13(14)9-16-18-15-17-12(3)10-20-15/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyNNASTLPHHSJNAI-UHFFFAOYSA-N
XLogP3.99
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.99
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-methyl-N-[[2-propoxy-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619138
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 40548174
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
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
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619137
N-[(2-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618803
N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110536776
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
4-methyl-N-[(4-methyl-3-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168617551
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618121
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 168617285) is 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is CCCOc1ccc(C)cc1C=NNc1nc(C)cs1.
What is the InChIKey of 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is NNASTLPHHSJNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-7-19-14-6-5-11(2)8-13(14)9-16-18-15-17-12(3)10-20-15/h5-6,8-10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-2-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168617285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).