4-methyl-2-pent-1-ynyl-1,3-thiazole

C9H11NS — CID 59571079

IUPAC4-methyl-2-pent-1-ynyl-1,3-thiazole
SMILESCCCC#Cc1nc(C)cs1
InChIInChI=1S/C9H11NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-4H2,1-2H3
InChIKeyQORMXECODHDZFF-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.60
Rot. Bonds1

About 4-methyl-2-pent-1-ynyl-1,3-thiazole

4-methyl-2-pent-1-ynyl-1,3-thiazole (PubChem CID 59571079) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-methyl-2-pent-1-ynyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pent-1-ynyl-1,3-thiazole
PubChem CID59571079
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name4-methyl-2-pent-1-ynyl-1,3-thiazole
SMILESCCCC#Cc1nc(C)cs1
InChIInChI=1S/C9H11NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-4H2,1-2H3
InChIKeyQORMXECODHDZFF-UHFFFAOYSA-N
XLogP2.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.60
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-(4-methyl-1,3-thiazol-2-yl)ethynyl thiohypoiodite
CID 155462373
2-(2-cyclopropylethynyl)-4-methyl-1,3-thiazole
CID 122242615
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
2-ethyl-4-methyl-1,3-thiazole
CID 27440
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanenitrile
CID 78993770
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63946760
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pent-1-ynyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pent-1-ynyl-1,3-thiazole (CID 59571079) is 4-methyl-2-pent-1-ynyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pent-1-ynyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pent-1-ynyl-1,3-thiazole is CCCC#Cc1nc(C)cs1.
What is the InChIKey of 4-methyl-2-pent-1-ynyl-1,3-thiazole?
The InChIKey is QORMXECODHDZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-pent-1-ynyl-1,3-thiazole?
4-methyl-2-pent-1-ynyl-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pent-1-ynyl-1,3-thiazole is sourced from PubChem (CID 59571079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).