2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide

C16H20N4O2S — CID 110338471

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
SMILESCCCCOc1ccccc1/C=N/NC(=O)Cc1csc(N)n1
InChIInChI=1S/C16H20N4O2S/c1-2-3-8-22-14-7-5-4-6-12(14)10-18-20-15(21)9-13-11-23-16(17)19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,19)(H,20,21)/b18-10+
InChIKeyCKVDBYORHVAWMV-VCHYOVAHSA-N
MW332.43 g/mol
LogP2.60
Rot. Bonds8

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide (PubChem CID 110338471) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
PubChem CID110338471
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
SMILESCCCCOc1ccccc1/C=N/NC(=O)Cc1csc(N)n1
InChIInChI=1S/C16H20N4O2S/c1-2-3-8-22-14-7-5-4-6-12(14)10-18-20-15(21)9-13-11-23-16(17)19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,19)(H,20,21)/b18-10+
InChIKeyCKVDBYORHVAWMV-VCHYOVAHSA-N
XLogP2.60
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.60
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

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]acetamide
CID 110341396
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110339962
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide
CID 6284233
N-[(E)-(2-butoxyphenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 19194560
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 110337317
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338974
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338738

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide (CID 110338471) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide is CCCCOc1ccccc1/C=N/NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide?
The InChIKey is CKVDBYORHVAWMV-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-3-8-22-14-7-5-4-6-12(14)10-18-20-15(21)9-13-11-23-16(17)19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,19)(H,20,21)/b18-10+.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110338471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).