2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C16H20N4O2S — CID 168625792

IUPAC2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(C=NNc2nc(N)cs2)cc1OC1CCCC1
InChIInChI=1S/C16H20N4O2S/c1-21-13-7-6-11(8-14(13)22-12-4-2-3-5-12)9-18-20-16-19-15(17)10-23-16/h6-10,12H,2-5,17H2,1H3,(H,19,20)
InChIKeyBXSPIUKRMUYOHH-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.50
Rot. Bonds6

About 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625792) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625792
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(C=NNc2nc(N)cs2)cc1OC1CCCC1
InChIInChI=1S/C16H20N4O2S/c1-21-13-7-6-11(8-14(13)22-12-4-2-3-5-12)9-18-20-16-19-15(17)10-23-16/h6-10,12H,2-5,17H2,1H3,(H,19,20)
InChIKeyBXSPIUKRMUYOHH-UHFFFAOYSA-N
XLogP3.50
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
2-N-[[3-(2-ethoxyethoxy)-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627439
2-N-[[4-(cyclohexyloxymethyl)-3-fluorophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626145
ethyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 168626970
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
2-N-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626322
2-N-[(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625814
2-N-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626633
2-N-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626534
2-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627486
2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168626539
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]pyridine-4-carboxylate
CID 168627359

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625792) is 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is COc1ccc(C=NNc2nc(N)cs2)cc1OC1CCCC1.
What is the InChIKey of 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is BXSPIUKRMUYOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-21-13-7-6-11(8-14(13)22-12-4-2-3-5-12)9-18-20-16-19-15(17)10-23-16/h6-10,12H,2-5,17H2,1H3,(H,19,20).
What are the key properties of 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 332.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).