2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide

C8H9N3O2S — CID 130927332

IUPAC2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide
SMILESC#CCONC(=O)c1csc(NC)n1
InChIInChI=1S/C8H9N3O2S/c1-3-4-13-11-7(12)6-5-14-8(9-2)10-6/h1,5H,4H2,2H3,(H,9,10)(H,11,12)
InChIKeyYKBKFOBNGOTPLF-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.48
Rot. Bonds4

About 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide

2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide (PubChem CID 130927332) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide
PubChem CID130927332
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide
SMILESC#CCONC(=O)c1csc(NC)n1
InChIInChI=1S/C8H9N3O2S/c1-3-4-13-11-7(12)6-5-14-8(9-2)10-6/h1,5H,4H2,2H3,(H,9,10)(H,11,12)
InChIKeyYKBKFOBNGOTPLF-UHFFFAOYSA-N
XLogP0.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131203421
6-bromo-N-prop-2-ynoxypyridine-2-carboxamide
CID 130744453
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
5-methyl-N-prop-2-ynoxyfuran-2-carboxamide
CID 130605440
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 110004592
2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122563881
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 171686952
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide (CID 130927332) is 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide is C#CCONC(=O)c1csc(NC)n1.
What is the InChIKey of 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide?
The InChIKey is YKBKFOBNGOTPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-3-4-13-11-7(12)6-5-14-8(9-2)10-6/h1,5H,4H2,2H3,(H,9,10)(H,11,12).
What are the key properties of 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide?
2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide has a molecular weight of 211.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130927332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).