4-cyclopropyl-2-ethynyl-1,3-thiazole

C8H7NS — CID 45079394

IUPAC4-cyclopropyl-2-ethynyl-1,3-thiazole
SMILESC#Cc1nc(C2CC2)cs1
InChIInChI=1S/C8H7NS/c1-2-8-9-7(5-10-8)6-3-4-6/h1,5-6H,3-4H2
InChIKeyAFCVVHDAKGXKJI-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.00
Rot. Bonds1

About 4-cyclopropyl-2-ethynyl-1,3-thiazole

4-cyclopropyl-2-ethynyl-1,3-thiazole (PubChem CID 45079394) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethynyl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-ethynyl-1,3-thiazole
PubChem CID45079394
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name4-cyclopropyl-2-ethynyl-1,3-thiazole
SMILESC#Cc1nc(C2CC2)cs1
InChIInChI=1S/C8H7NS/c1-2-8-9-7(5-10-8)6-3-4-6/h1,5-6H,3-4H2
InChIKeyAFCVVHDAKGXKJI-UHFFFAOYSA-N
XLogP2.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-4-propylthiazole
CID 53754611
4-Butyl-2-methylthiazole
CID 574804
2,4-Dipropylthiazole
CID 588182
2-Butyl-4-propylthiazole
CID 55295885
2-(1-Methylethyl)-4-propylthiazole
CID 54281113
2-Methyl-4-propylthiazole
CID 39071
2-(4-Cyclopropyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5207560
(4-Cyclopropyl-1,3-thiazol-2-yl)methanamine
CID 3896896
4-Ethyl-2-ethynyl-1,3-thiazole
CID 45079285
2-Bromo-4-cyclopropyl-1,3-thiazole
CID 45142087
4-Cyclopropyl-1,3-thiazole
CID 49758210
4-(Butan-2-yl)-2-methyl-1,3-thiazole
CID 67665666

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethynyl-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-ethynyl-1,3-thiazole (CID 45079394) is 4-cyclopropyl-2-ethynyl-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-ethynyl-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-ethynyl-1,3-thiazole is C#Cc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-ethynyl-1,3-thiazole?
The InChIKey is AFCVVHDAKGXKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-8-9-7(5-10-8)6-3-4-6/h1,5-6H,3-4H2.
What are the key properties of 4-cyclopropyl-2-ethynyl-1,3-thiazole?
4-cyclopropyl-2-ethynyl-1,3-thiazole has a molecular weight of 149.22 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethynyl-1,3-thiazole is sourced from PubChem (CID 45079394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).