N-prop-2-ynyl-1,3-thiazole-4-carboxamide

C7H6N2OS — CID 63024101

IUPACN-prop-2-ynyl-1,3-thiazole-4-carboxamide
SMILESC#CCNC(=O)c1cscn1
InChIInChI=1S/C7H6N2OS/c1-2-3-8-7(10)6-4-11-5-9-6/h1,4-5H,3H2,(H,8,10)
InChIKeySMTQVWXAFNKUGU-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.51
Rot. Bonds2

About N-prop-2-ynyl-1,3-thiazole-4-carboxamide

N-prop-2-ynyl-1,3-thiazole-4-carboxamide (PubChem CID 63024101) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is N-prop-2-ynyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1,3-thiazole-4-carboxamide
PubChem CID63024101
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC NameN-prop-2-ynyl-1,3-thiazole-4-carboxamide
SMILESC#CCNC(=O)c1cscn1
InChIInChI=1S/C7H6N2OS/c1-2-3-8-7(10)6-4-11-5-9-6/h1,4-5H,3H2,(H,8,10)
InChIKeySMTQVWXAFNKUGU-UHFFFAOYSA-N
XLogP0.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-prop-2-ynyl-1,3-thiazole-4-carboxamide (CID 63024101) is N-prop-2-ynyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1,3-thiazole-4-carboxamide is C#CCNC(=O)c1cscn1.
What is the InChIKey of N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The InChIKey is SMTQVWXAFNKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-2-3-8-7(10)6-4-11-5-9-6/h1,4-5H,3H2,(H,8,10).
What are the key properties of N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
N-prop-2-ynyl-1,3-thiazole-4-carboxamide has a molecular weight of 166.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63024101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).