N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C9H8N2OS — CID 144888956

IUPACN-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESC#Cc1cnc(NC(=O)C2CC2)s1
InChIInChI=1S/C9H8N2OS/c1-2-7-5-10-9(13-7)11-8(12)6-3-4-6/h1,5-6H,3-4H2,(H,10,11,12)
InChIKeyKXKVSEYMGHYTER-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.47
Rot. Bonds2

About N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 144888956) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID144888956
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESC#Cc1cnc(NC(=O)C2CC2)s1
InChIInChI=1S/C9H8N2OS/c1-2-7-5-10-9(13-7)11-8(12)6-3-4-6/h1,5-6H,3-4H2,(H,10,11,12)
InChIKeyKXKVSEYMGHYTER-UHFFFAOYSA-N
XLogP1.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 60804255
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
3-[2-(cyclopentanecarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971231
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 61277085
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 64905803
phenyl N-[4-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]ethynyl]phenyl]carbamate
CID 144888895

Frequently Asked Questions

What is the IUPAC name of N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 144888956) is N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is C#Cc1cnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is KXKVSEYMGHYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-2-7-5-10-9(13-7)11-8(12)6-3-4-6/h1,5-6H,3-4H2,(H,10,11,12).
What are the key properties of N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 144888956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).