N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide

C9H11N3O2S — CID 110687201

IUPACN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)Nc1nccs1
InChIInChI=1S/C9H11N3O2S/c13-7(12-9-10-3-4-15-9)5-11-8(14)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,14)(H,10,12,13)
InChIKeyYHONTCBNDVEHIX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.61
Rot. Bonds4

About N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide (PubChem CID 110687201) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
PubChem CID110687201
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)Nc1nccs1
InChIInChI=1S/C9H11N3O2S/c13-7(12-9-10-3-4-15-9)5-11-8(14)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,14)(H,10,12,13)
InChIKeyYHONTCBNDVEHIX-UHFFFAOYSA-N
XLogP0.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
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4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
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N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 54639806
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide (CID 110687201) is N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)Nc1nccs1.
What is the InChIKey of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is YHONTCBNDVEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-7(12-9-10-3-4-15-9)5-11-8(14)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,14)(H,10,12,13).
What are the key properties of N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide?
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110687201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).