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

C9H14N2OS — CID 63018904

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1ncc(CN2CCC(O)C2)s1
InChIInChI=1S/C9H14N2OS/c1-7-10-4-9(13-7)6-11-3-2-8(12)5-11/h4,8,12H,2-3,5-6H2,1H3
InChIKeyVQTUKLFUQPCRJR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.02
Rot. Bonds2

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

1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 63018904) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID63018904
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1ncc(CN2CCC(O)C2)s1
InChIInChI=1S/C9H14N2OS/c1-7-10-4-9(13-7)6-11-3-2-8(12)5-11/h4,8,12H,2-3,5-6H2,1H3
InChIKeyVQTUKLFUQPCRJR-UHFFFAOYSA-N
XLogP1.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol (CID 63018904) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol is Cc1ncc(CN2CCC(O)C2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is VQTUKLFUQPCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-10-4-9(13-7)6-11-3-2-8(12)5-11/h4,8,12H,2-3,5-6H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63018904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).