2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C11H16N2S — CID 104853446

IUPAC2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESc1sc(CC2CC2)nc1[C@@H]1CCCN1
InChIInChI=1S/C11H16N2S/c1-2-9(12-5-1)10-7-14-11(13-10)6-8-3-4-8/h7-9,12H,1-6H2/t9-/m0/s1
InChIKeyORCDLHPLTGKDKM-VIFPVBQESA-N
MW208.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104853446) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104853446
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESc1sc(CC2CC2)nc1[C@@H]1CCCN1
InChIInChI=1S/C11H16N2S/c1-2-9(12-5-1)10-7-14-11(13-10)6-8-3-4-8/h7-9,12H,1-6H2/t9-/m0/s1
InChIKeyORCDLHPLTGKDKM-VIFPVBQESA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834
4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928707
2-[(2-chlorophenyl)methyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456818
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104853446) is 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is c1sc(CC2CC2)nc1[C@@H]1CCCN1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is ORCDLHPLTGKDKM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-9(12-5-1)10-7-14-11(13-10)6-8-3-4-8/h7-9,12H,1-6H2/t9-/m0/s1.
What are the key properties of 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 208.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104853446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).