2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

C10H13N2O2S- — CID 18542490

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1nc(C2CCCN2C(=O)[O-])sc1C
InChIInChI=1S/C10H14N2O2S/c1-6-7(2)15-9(11-6)8-4-3-5-12(8)10(13)14/h8H,3-5H2,1-2H3,(H,13,14)/p-1
InChIKeyIOWZPLTVNDHHHN-UHFFFAOYSA-M
MW225.29 g/mol
LogP1.24
Rot. Bonds1

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 18542490) has the molecular formula C10H13N2O2S- and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID18542490
Molecular FormulaC10H13N2O2S-
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1nc(C2CCCN2C(=O)[O-])sc1C
InChIInChI=1S/C10H14N2O2S/c1-6-7(2)15-9(11-6)8-4-3-5-12(8)10(13)14/h8H,3-5H2,1-2H3,(H,13,14)/p-1
InChIKeyIOWZPLTVNDHHHN-UHFFFAOYSA-M
XLogP1.24
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid
CID 135319473
1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359435
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 97003510
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 71928919
methyl 5-methyl-2-[(2S)-1-[[(3S)-4-methylpent-1-yn-3-yl]carbamoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124885525
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95777886
1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 18682297
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 31920191
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 95777919
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (CID 18542490) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is Cc1nc(C2CCCN2C(=O)[O-])sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is IOWZPLTVNDHHHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N2O2S/c1-6-7(2)15-9(11-6)8-4-3-5-12(8)10(13)14/h8H,3-5H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 18542490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).