N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C14H14FN3OS — CID 168617561

IUPACN-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cc(F)cc3c2OCCC3)n1
InChIInChI=1S/C14H14FN3OS/c1-9-8-20-14(17-9)18-16-7-11-6-12(15)5-10-3-2-4-19-13(10)11/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyCKKCHFZDVMHQHT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.36
Rot. Bonds3

About N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617561) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617561
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cc(F)cc3c2OCCC3)n1
InChIInChI=1S/C14H14FN3OS/c1-9-8-20-14(17-9)18-16-7-11-6-12(15)5-10-3-2-4-19-13(10)11/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyCKKCHFZDVMHQHT-UHFFFAOYSA-N
XLogP3.36
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.36
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-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617900
4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine
CID 168618200
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619252
ethyl 2-[2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625364
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617225
N-[[2-(difluoromethoxy)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619693
N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617536

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617561) is N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cc(F)cc3c2OCCC3)n1.
What is the InChIKey of N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CKKCHFZDVMHQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-9-8-20-14(17-9)18-16-7-11-6-12(15)5-10-3-2-4-19-13(10)11/h5-8H,2-4H2,1H3,(H,17,18).
What are the key properties of N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 291.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).