2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole

C8H9NS — CID 143800499

IUPAC2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
SMILESC#C[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C8H9NS/c1-4-6(2)8-9-7(3)5-10-8/h1,5-6H,2-3H3/t6-/m1/s1
InChIKeyNUNQKDVKPGJVHY-ZCFIWIBFSA-N
MW151.23 g/mol
LogP2.19
Rot. Bonds1

About 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole

2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole (PubChem CID 143800499) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
PubChem CID143800499
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
SMILESC#C[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C8H9NS/c1-4-6(2)8-9-7(3)5-10-8/h1,5-6H,2-3H3/t6-/m1/s1
InChIKeyNUNQKDVKPGJVHY-ZCFIWIBFSA-N
XLogP2.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.19
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

1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate
CID 174605166
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 9267875
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
CID 87686562
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole (CID 143800499) is 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole is C#C[C@@H](C)c1nc(C)cs1.
What is the InChIKey of 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is NUNQKDVKPGJVHY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9NS/c1-4-6(2)8-9-7(3)5-10-8/h1,5-6H,2-3H3/t6-/m1/s1.
What are the key properties of 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole?
2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 151.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 143800499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).