N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide

C8H8N2OS2 — CID 651753

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1=NCCS1)c1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7(6-2-1-4-12-6)10-8-9-3-5-13-8/h1-2,4H,3,5H2,(H,9,10,11)
InChIKeyOUGRZEREDSEDGA-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.58
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 651753) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID651753
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1=NCCS1)c1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7(6-2-1-4-12-6)10-8-9-3-5-13-8/h1-2,4H,3,5H2,(H,9,10,11)
InChIKeyOUGRZEREDSEDGA-UHFFFAOYSA-N
XLogP1.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 651753) is N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(NC1=NCCS1)c1cccs1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is OUGRZEREDSEDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-7(6-2-1-4-12-6)10-8-9-3-5-13-8/h1-2,4H,3,5H2,(H,9,10,11).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 212.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 651753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).