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

C11H19NOS — CID 66060461

IUPAC4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol
SMILESCc1ncc(CC(CO)CC(C)C)s1
InChIInChI=1S/C11H19NOS/c1-8(2)4-10(7-13)5-11-6-12-9(3)14-11/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyNJHFSALANBMCET-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.65
Rot. Bonds5

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

4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol (PubChem CID 66060461) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol
PubChem CID66060461
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol
SMILESCc1ncc(CC(CO)CC(C)C)s1
InChIInChI=1S/C11H19NOS/c1-8(2)4-10(7-13)5-11-6-12-9(3)14-11/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyNJHFSALANBMCET-UHFFFAOYSA-N
XLogP2.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol (CID 66060461) is 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol is Cc1ncc(CC(CO)CC(C)C)s1.
What is the InChIKey of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol?
The InChIKey is NJHFSALANBMCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8(2)4-10(7-13)5-11-6-12-9(3)14-11/h6,8,10,13H,4-5,7H2,1-3H3.
What are the key properties of 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol?
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol is sourced from PubChem (CID 66060461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).