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

C15H20N4OS — CID 168625942

IUPAC2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCCCCOc1ccccc1C=NNc1nc(N)cs1
InChIInChI=1S/C15H20N4OS/c1-2-3-6-9-20-13-8-5-4-7-12(13)10-17-19-15-18-14(16)11-21-15/h4-5,7-8,10-11H,2-3,6,9,16H2,1H3,(H,18,19)
InChIKeyAZAMXWZVKDJHMY-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.74
Rot. Bonds8

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

2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625942) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625942
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCCCCOc1ccccc1C=NNc1nc(N)cs1
InChIInChI=1S/C15H20N4OS/c1-2-3-6-9-20-13-8-5-4-7-12(13)10-17-19-15-18-14(16)11-21-15/h4-5,7-8,10-11H,2-3,6,9,16H2,1H3,(H,18,19)
InChIKeyAZAMXWZVKDJHMY-UHFFFAOYSA-N
XLogP3.74
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
2-N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626009
2-N-[[2-(4-tert-butylphenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627709
2-N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626182
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168627759
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625942) is 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is CCCCCOc1ccccc1C=NNc1nc(N)cs1.
What is the InChIKey of 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is AZAMXWZVKDJHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-3-6-9-20-13-8-5-4-7-12(13)10-17-19-15-18-14(16)11-21-15/h4-5,7-8,10-11H,2-3,6,9,16H2,1H3,(H,18,19).
What are the key properties of 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).