(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol

C12H21N3OS — CID 164632607

IUPAC(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol
SMILESCC[C@]1(O)CCN(Cc2cnc(N(C)C)s2)C1
InChIInChI=1S/C12H21N3OS/c1-4-12(16)5-6-15(9-12)8-10-7-13-11(17-10)14(2)3/h7,16H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyMRWGHCZELTZVRD-LBPRGKRZSA-N
MW255.39 g/mol
LogP1.56
Rot. Bonds4

About (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol

(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol (PubChem CID 164632607) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol
PubChem CID164632607
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol
SMILESCC[C@]1(O)CCN(Cc2cnc(N(C)C)s2)C1
InChIInChI=1S/C12H21N3OS/c1-4-12(16)5-6-15(9-12)8-10-7-13-11(17-10)14(2)3/h7,16H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyMRWGHCZELTZVRD-LBPRGKRZSA-N
XLogP1.56
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol (CID 164632607) is (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol is CC[C@]1(O)CCN(Cc2cnc(N(C)C)s2)C1.
What is the InChIKey of (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol?
The InChIKey is MRWGHCZELTZVRD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-12(16)5-6-15(9-12)8-10-7-13-11(17-10)14(2)3/h7,16H,4-6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol?
(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol has a molecular weight of 255.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-3-ethylpyrrolidin-3-ol is sourced from PubChem (CID 164632607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).