[(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol

C8H12N2OS — CID 164653630

IUPAC[(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)[C@H]1CCNC1
InChIInChI=1S/C8H12N2OS/c11-8(6-1-3-9-5-6)7-2-4-10-12-7/h2,4,6,8-9,11H,1,3,5H2/t6-,8?/m0/s1
InChIKeyZQYGGUBAQVHBCM-UUEFVBAFSA-N
MW184.26 g/mol
LogP0.79
Rot. Bonds2

About [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol

[(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol (PubChem CID 164653630) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol
PubChem CID164653630
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)[C@H]1CCNC1
InChIInChI=1S/C8H12N2OS/c11-8(6-1-3-9-5-6)7-2-4-10-12-7/h2,4,6,8-9,11H,1,3,5H2/t6-,8?/m0/s1
InChIKeyZQYGGUBAQVHBCM-UUEFVBAFSA-N
XLogP0.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
4-Amino-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130900773
1-Piperidin-3-yl-1-(1,2-thiazol-5-yl)ethanol
CID 130914163
3-Amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 130927731
4-(1,2-Thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 130942811
1-Methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
5-Isothiazolemethanol, I+/--methyl-I+/--(2-pyrrolidinylmethyl)-
CID 130975146
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131001966
3-(1,2-Thiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 131015164
2-(Methylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 131036683
Cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol
CID 131059323
3-Amino-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131148747

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol?
The IUPAC name of [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol (CID 164653630) is [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol is OC(c1ccns1)[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol?
The InChIKey is ZQYGGUBAQVHBCM-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-8(6-1-3-9-5-6)7-2-4-10-12-7/h2,4,6,8-9,11H,1,3,5H2/t6-,8?/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol?
[(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol has a molecular weight of 184.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl]-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 164653630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).