(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol

C9H14N2OS — CID 164653667

IUPAC(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
SMILESCc1nc(C(O)[C@H]2CCNC2)cs1
InChIInChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9(12)7-2-3-10-4-7/h5,7,9-10,12H,2-4H2,1H3/t7-,9?/m0/s1
InChIKeyKWSJVVRFIXLSSK-JAVCKPHESA-N
MW198.29 g/mol
LogP1.09
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol

(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol (PubChem CID 164653667) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
PubChem CID164653667
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
SMILESCc1nc(C(O)[C@H]2CCNC2)cs1
InChIInChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9(12)7-2-3-10-4-7/h5,7,9-10,12H,2-4H2,1H3/t7-,9?/m0/s1
InChIKeyKWSJVVRFIXLSSK-JAVCKPHESA-N
XLogP1.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol (CID 164653667) is (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol is Cc1nc(C(O)[C@H]2CCNC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
The InChIKey is KWSJVVRFIXLSSK-JAVCKPHESA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9(12)7-2-3-10-4-7/h5,7,9-10,12H,2-4H2,1H3/t7-,9?/m0/s1.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol?
(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol has a molecular weight of 198.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164653667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).