N-(1,3-thiazol-4-ylmethylideneamino)acetamide

C6H7N3OS — CID 130738224

IUPACN-(1,3-thiazol-4-ylmethylideneamino)acetamide
SMILESCC(=O)NN=Cc1cscn1
InChIInChI=1S/C6H7N3OS/c1-5(10)9-8-2-6-3-11-4-7-6/h2-4H,1H3,(H,9,10)
InChIKeyWPBQFPFMWHSMSV-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.61
Rot. Bonds2

About N-(1,3-thiazol-4-ylmethylideneamino)acetamide

N-(1,3-thiazol-4-ylmethylideneamino)acetamide (PubChem CID 130738224) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethylideneamino)acetamide
PubChem CID130738224
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC NameN-(1,3-thiazol-4-ylmethylideneamino)acetamide
SMILESCC(=O)NN=Cc1cscn1
InChIInChI=1S/C6H7N3OS/c1-5(10)9-8-2-6-3-11-4-7-6/h2-4H,1H3,(H,9,10)
InChIKeyWPBQFPFMWHSMSV-UHFFFAOYSA-N
XLogP0.61
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2Z,4E)-3-methyl-5-(1,3-thiazol-4-yl)penta-2,4-dienoic acid
CID 164646142
(2-methoxy-2-oxoethyl) (E)-3-(1,3-thiazol-4-yl)prop-2-enoate
CID 75418745
(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 131247757
N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
CID 87802277
2-(1,3-thiazol-4-ylmethylideneamino)phenol
CID 131236355
tert-butyl 4-methyl-2-(1,3-thiazol-4-ylmethylideneamino)pentanoate
CID 59016358
N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(1,3-thiazol-4-yl)prop-2-enyl]acetamide
CID 170807346
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-tert-butyl-2-methyl-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
CID 104863108
N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide
CID 54182918

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethylideneamino)acetamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethylideneamino)acetamide (CID 130738224) is N-(1,3-thiazol-4-ylmethylideneamino)acetamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethylideneamino)acetamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethylideneamino)acetamide is CC(=O)NN=Cc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethylideneamino)acetamide?
The InChIKey is WPBQFPFMWHSMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-5(10)9-8-2-6-3-11-4-7-6/h2-4H,1H3,(H,9,10).
What are the key properties of N-(1,3-thiazol-4-ylmethylideneamino)acetamide?
N-(1,3-thiazol-4-ylmethylideneamino)acetamide has a molecular weight of 169.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 130738224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).