2-(3-chlorobutan-2-yl)-1,3-thiazole

C7H10ClNS — CID 63202984

IUPAC2-(3-chlorobutan-2-yl)-1,3-thiazole
SMILESCC(Cl)C(C)c1nccs1
InChIInChI=1S/C7H10ClNS/c1-5(6(2)8)7-9-3-4-10-7/h3-6H,1-2H3
InChIKeyFWGSTPIVXFAYCQ-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.87
Rot. Bonds2

About 2-(3-chlorobutan-2-yl)-1,3-thiazole

2-(3-chlorobutan-2-yl)-1,3-thiazole (PubChem CID 63202984) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 2-(3-chlorobutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chlorobutan-2-yl)-1,3-thiazole
PubChem CID63202984
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name2-(3-chlorobutan-2-yl)-1,3-thiazole
SMILESCC(Cl)C(C)c1nccs1
InChIInChI=1S/C7H10ClNS/c1-5(6(2)8)7-9-3-4-10-7/h3-6H,1-2H3
InChIKeyFWGSTPIVXFAYCQ-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-thiazol-2-yl)butane-2-thiol
CID 146833908
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-[(1R)-1-(4-methylphenyl)ethyl]-1,3-thiazole
CID 175886345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobutan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(3-chlorobutan-2-yl)-1,3-thiazole (CID 63202984) is 2-(3-chlorobutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-chlorobutan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-chlorobutan-2-yl)-1,3-thiazole is CC(Cl)C(C)c1nccs1.
What is the InChIKey of 2-(3-chlorobutan-2-yl)-1,3-thiazole?
The InChIKey is FWGSTPIVXFAYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(6(2)8)7-9-3-4-10-7/h3-6H,1-2H3.
What are the key properties of 2-(3-chlorobutan-2-yl)-1,3-thiazole?
2-(3-chlorobutan-2-yl)-1,3-thiazole has a molecular weight of 175.68 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorobutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 63202984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).