N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine

C9H9N3OS — CID 7245227

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N/Nc2nccs2)o1
InChIInChI=1S/C9H9N3OS/c1-7-2-3-8(13-7)6-11-12-9-10-4-5-14-9/h2-6H,1H3,(H,10,12)/b11-6+
InChIKeyJZTVWTDPGATYFE-IZZDOVSWSA-N
MW207.26 g/mol
LogP2.49
Rot. Bonds3

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 7245227) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID7245227
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N/Nc2nccs2)o1
InChIInChI=1S/C9H9N3OS/c1-7-2-3-8(13-7)6-11-12-9-10-4-5-14-9/h2-6H,1H3,(H,10,12)/b11-6+
InChIKeyJZTVWTDPGATYFE-IZZDOVSWSA-N
XLogP2.49
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', '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

N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
N-[(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2790075
methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539505
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5349994
4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 6862717
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135781520
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine (CID 7245227) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is Cc1ccc(/C=N/Nc2nccs2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is JZTVWTDPGATYFE-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-7-2-3-8(13-7)6-11-12-9-10-4-5-14-9/h2-6H,1H3,(H,10,12)/b11-6+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 7245227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).