2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole

C9H15NS — CID 166765987

IUPAC2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
SMILESCc1ncc([C@@H](C)C(C)C)s1
InChIInChI=1S/C9H15NS/c1-6(2)7(3)9-5-10-8(4)11-9/h5-7H,1-4H3/t7-/m0/s1
InChIKeyIKSDAGSNTGGHJD-ZETCQYMHSA-N
MW169.29 g/mol
LogP3.21
Rot. Bonds2

About 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole

2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole (PubChem CID 166765987) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
PubChem CID166765987
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
SMILESCc1ncc([C@@H](C)C(C)C)s1
InChIInChI=1S/C9H15NS/c1-6(2)7(3)9-5-10-8(4)11-9/h5-7H,1-4H3/t7-/m0/s1
InChIKeyIKSDAGSNTGGHJD-ZETCQYMHSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
CID 140919580
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
CID 126983495
(4-methylsulfinylphenyl)-(2-methyl-1,3-thiazol-5-yl)methanol
CID 142562513
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580412
2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
CID 126972584
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
CID 115890511
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
(2-methyl-1,3-thiazol-5-yl)-(1,2-thiazol-3-yl)methanol
CID 131064888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole (CID 166765987) is 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole is Cc1ncc([C@@H](C)C(C)C)s1.
What is the InChIKey of 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole?
The InChIKey is IKSDAGSNTGGHJD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)7(3)9-5-10-8(4)11-9/h5-7H,1-4H3/t7-/m0/s1.
What are the key properties of 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole?
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole is sourced from PubChem (CID 166765987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).