2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile

C11H16N2S — CID 116887289

IUPAC2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile
SMILESCCCc1nc(C)c(C(C#N)CC)s1
InChIInChI=1S/C11H16N2S/c1-4-6-10-13-8(3)11(14-10)9(5-2)7-12/h9H,4-6H2,1-3H3
InChIKeyDPMMQGMBNLWVLY-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.42
Rot. Bonds4

About 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile

2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile (PubChem CID 116887289) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile.

Molecular Properties

Compound Name2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile
PubChem CID116887289
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile
SMILESCCCc1nc(C)c(C(C#N)CC)s1
InChIInChI=1S/C11H16N2S/c1-4-6-10-13-8(3)11(14-10)9(5-2)7-12/h9H,4-6H2,1-3H3
InChIKeyDPMMQGMBNLWVLY-UHFFFAOYSA-N
XLogP3.42
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)butanenitrile
CID 116887293
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]butanenitrile
CID 116887297
2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887316
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887313
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
5-methyl-4-propan-2-yl-2-propyl-1,3-thiazole
CID 130511938
[1-(4-methyl-2-propyl-1,3-thiazol-5-yl)cyclopropyl]methanol
CID 116886853
(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001080
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
CID 116887345
[1-(4-methyl-2-propyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886887
1-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287596

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile?
The IUPAC name of 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile (CID 116887289) is 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile.
What is the SMILES notation for 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile?
The canonical SMILES for 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile is CCCc1nc(C)c(C(C#N)CC)s1.
What is the InChIKey of 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile?
The InChIKey is DPMMQGMBNLWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-6-10-13-8(3)11(14-10)9(5-2)7-12/h9H,4-6H2,1-3H3.
What are the key properties of 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile?
2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile has a molecular weight of 208.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-propyl-1,3-thiazol-5-yl)butanenitrile is sourced from PubChem (CID 116887289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).