2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole

C12H19NOS — CID 122142392

IUPAC2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
SMILESCC(C)CCc1nc(C2CCOC2)cs1
InChIInChI=1S/C12H19NOS/c1-9(2)3-4-12-13-11(8-15-12)10-5-6-14-7-10/h8-10H,3-7H2,1-2H3
InChIKeyBXKRTPMQJQNRTR-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole

2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole (PubChem CID 122142392) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
PubChem CID122142392
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
SMILESCC(C)CCc1nc(C2CCOC2)cs1
InChIInChI=1S/C12H19NOS/c1-9(2)3-4-12-13-11(8-15-12)10-5-6-14-7-10/h8-10H,3-7H2,1-2H3
InChIKeyBXKRTPMQJQNRTR-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
CID 122142391
N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693354
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036298
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968368
3-methyl-2-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969790
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104744208
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole (CID 122142392) is 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole is CC(C)CCc1nc(C2CCOC2)cs1.
What is the InChIKey of 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole?
The InChIKey is BXKRTPMQJQNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(2)3-4-12-13-11(8-15-12)10-5-6-14-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole?
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole is sourced from PubChem (CID 122142392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).