(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C16H25N3OS — CID 95294853

IUPAC(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)s1
InChIInChI=1S/C16H25N3OS/c1-4-14-17-11(2)15(21-14)16(20)19-10-6-8-13(19)12-7-5-9-18(12)3/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyCMPGMJRYFFCFGC-STQMWFEESA-N
MW307.46 g/mol
LogP2.71
Rot. Bonds3

About (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95294853) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95294853
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)s1
InChIInChI=1S/C16H25N3OS/c1-4-14-17-11(2)15(21-14)16(20)19-10-6-8-13(19)12-7-5-9-18(12)3/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyCMPGMJRYFFCFGC-STQMWFEESA-N
XLogP2.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95294853) is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)s1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CMPGMJRYFFCFGC-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-14-17-11(2)15(21-14)16(20)19-10-6-8-13(19)12-7-5-9-18(12)3/h12-13H,4-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 307.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95294853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).