N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide

C10H8N4O2S2 — CID 65215906

IUPACN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)c1csnn1
InChIInChI=1S/C10H8N4O2S2/c15-4-2-1-3-7-5-11-10(18-7)12-9(16)8-6-17-14-13-8/h5-6,15H,2,4H2,(H,11,12,16)
InChIKeyFFIGWYCZJOAITC-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.98
Rot. Bonds3

About N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide (PubChem CID 65215906) has the molecular formula C10H8N4O2S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
PubChem CID65215906
Molecular FormulaC10H8N4O2S2
Molecular Weight280.33 g/mol
Exact Mass280.01
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)c1csnn1
InChIInChI=1S/C10H8N4O2S2/c15-4-2-1-3-7-5-11-10(18-7)12-9(16)8-6-17-14-13-8/h5-6,15H,2,4H2,(H,11,12,16)
InChIKeyFFIGWYCZJOAITC-UHFFFAOYSA-N
XLogP0.98
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide (CID 65215906) is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide is O=C(Nc1ncc(C#CCCO)s1)c1csnn1.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide?
The InChIKey is FFIGWYCZJOAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S2/c15-4-2-1-3-7-5-11-10(18-7)12-9(16)8-6-17-14-13-8/h5-6,15H,2,4H2,(H,11,12,16).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide?
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 65215906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).