N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C18H19N5O3S — CID 67808925

IUPACN-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCOc1ccc(NC(N)=Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1
InChIInChI=1S/C18H19N5O3S/c1-11(24)20-9-14-7-8-16(26-14)15-10-27-18(22-15)23-17(19)21-12-3-5-13(25-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,24)(H3,19,21,22,23)
InChIKeyYHAMWDDCJLYYPO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.11
Rot. Bonds6

About N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 67808925) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID67808925
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCOc1ccc(NC(N)=Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1
InChIInChI=1S/C18H19N5O3S/c1-11(24)20-9-14-7-8-16(26-14)15-10-27-18(22-15)23-17(19)21-12-3-5-13(25-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,24)(H3,19,21,22,23)
InChIKeyYHAMWDDCJLYYPO-UHFFFAOYSA-N
XLogP3.11
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N'-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamimidothioate;hydroiodide
CID 67807358
N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17464665
N-[[5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17460448
N-[[5-[2-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54210566
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 36540569
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[[5-[2-[[N'-[2-(2-methoxyphenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide;oxalic acid
CID 67808397
N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 47411263
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(4-tert-butylphenoxy)acetamide
CID 42378787
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
N-[4-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]phenyl]thiophene-2-carboxamide
CID 52563307

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 67808925) is N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is COc1ccc(NC(N)=Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1.
What is the InChIKey of N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is YHAMWDDCJLYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11(24)20-9-14-7-8-16(26-14)15-10-27-18(22-15)23-17(19)21-12-3-5-13(25-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,24)(H3,19,21,22,23).
What are the key properties of N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 67808925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).