3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol

C10H17NOS — CID 79424726

IUPAC3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
SMILESCc1ncsc1CCC(C)C(C)O
InChIInChI=1S/C10H17NOS/c1-7(9(3)12)4-5-10-8(2)11-6-13-10/h6-7,9,12H,4-5H2,1-3H3
InChIKeyWYSMBBJYTZZAAL-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.40
Rot. Bonds4

About 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol

3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol (PubChem CID 79424726) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
PubChem CID79424726
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
SMILESCc1ncsc1CCC(C)C(C)O
InChIInChI=1S/C10H17NOS/c1-7(9(3)12)4-5-10-8(2)11-6-13-10/h6-7,9,12H,4-5H2,1-3H3
InChIKeyWYSMBBJYTZZAAL-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butan-2-ol
CID 115665735
1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112628398
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79436563
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole
CID 155442020
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol?
The IUPAC name of 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol (CID 79424726) is 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol is Cc1ncsc1CCC(C)C(C)O.
What is the InChIKey of 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol?
The InChIKey is WYSMBBJYTZZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(9(3)12)4-5-10-8(2)11-6-13-10/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol?
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 79424726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).