N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C10H11N3O2S2 — CID 88578524

IUPACN-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESNC(=O)/C(S)=C/c1cnc(NC(=O)C2CC2)s1
InChIInChI=1S/C10H11N3O2S2/c11-8(14)7(16)3-6-4-12-10(17-6)13-9(15)5-1-2-5/h3-5,16H,1-2H2,(H2,11,14)(H,12,13,15)/b7-3-
InChIKeyHMQGTMSSKQNYNZ-CLTKARDFSA-N
MW269.35 g/mol
LogP1.25
Rot. Bonds4

About N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 88578524) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID88578524
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESNC(=O)/C(S)=C/c1cnc(NC(=O)C2CC2)s1
InChIInChI=1S/C10H11N3O2S2/c11-8(14)7(16)3-6-4-12-10(17-6)13-9(15)5-1-2-5/h3-5,16H,1-2H2,(H2,11,14)(H,12,13,15)/b7-3-
InChIKeyHMQGTMSSKQNYNZ-CLTKARDFSA-N
XLogP1.25
TPSA85.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 88578524) is N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is NC(=O)/C(S)=C/c1cnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is HMQGTMSSKQNYNZ-CLTKARDFSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c11-8(14)7(16)3-6-4-12-10(17-6)13-9(15)5-1-2-5/h3-5,16H,1-2H2,(H2,11,14)(H,12,13,15)/b7-3-.
What are the key properties of N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-3-amino-3-oxo-2-sulfanylprop-1-enyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 88578524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).