(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C16H25N3OS — CID 124613261

IUPAC(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2sc(C3CCCC3)nc2C)C1
InChIInChI=1S/C16H25N3OS/c1-11-14(21-15(18-11)13-5-3-4-6-13)16(20)19-8-7-12(10-19)9-17-2/h12-13,17H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyKBALWXAZCWNURT-GFCCVEGCSA-N
MW307.46 g/mol
LogP2.79
Rot. Bonds4

About (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 124613261) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID124613261
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2sc(C3CCCC3)nc2C)C1
InChIInChI=1S/C16H25N3OS/c1-11-14(21-15(18-11)13-5-3-4-6-13)16(20)19-8-7-12(10-19)9-17-2/h12-13,17H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyKBALWXAZCWNURT-GFCCVEGCSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 111470063
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541192
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540320
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540319
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124613378
2-[[(2S)-4-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129346778
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 124613261) is (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNC[C@H]1CCN(C(=O)c2sc(C3CCCC3)nc2C)C1.
What is the InChIKey of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KBALWXAZCWNURT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11-14(21-15(18-11)13-5-3-4-6-13)16(20)19-8-7-12(10-19)9-17-2/h12-13,17H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 307.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124613261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).