N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine

C16H15N3OS2 — CID 110537143

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccccc1/C=N\Nc1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C16H15N3OS2/c1-11-15(14-8-5-9-21-14)18-16(22-11)19-17-10-12-6-3-4-7-13(12)20-2/h3-10H,1-2H3,(H,18,19)/b17-10-
InChIKeyYTEPQUKTAFEDJB-YVLHZVERSA-N
MW329.45 g/mol
LogP4.63
Rot. Bonds5

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine

N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 110537143) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID110537143
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccccc1/C=N\Nc1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C16H15N3OS2/c1-11-15(14-8-5-9-21-14)18-16(22-11)19-17-10-12-6-3-4-7-13(12)20-2/h3-10H,1-2H3,(H,18,19)/b17-10-
InChIKeyYTEPQUKTAFEDJB-YVLHZVERSA-N
XLogP4.63
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535168
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534176
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110532549
4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822239
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110531355
2-chloro-4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822071
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 110537143) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine is COc1ccccc1/C=N\Nc1nc(-c2cccs2)c(C)s1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is YTEPQUKTAFEDJB-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-11-15(14-8-5-9-21-14)18-16(22-11)19-17-10-12-6-3-4-7-13(12)20-2/h3-10H,1-2H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 329.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 110537143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).