[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

C15H18N4OS — CID 124595892

IUPAC[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCNC[C@@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4OS/c1-16-9-11-5-4-8-19(11)15(20)13-10-21-14(18-13)12-6-2-3-7-17-12/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyCDRNPFPGHKPOQF-NSHDSACASA-N
MW302.40 g/mol
LogP2.03
Rot. Bonds4

About [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124595892) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID124595892
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCNC[C@@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4OS/c1-16-9-11-5-4-8-19(11)15(20)13-10-21-14(18-13)12-6-2-3-7-17-12/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyCDRNPFPGHKPOQF-NSHDSACASA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 119651204
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119651203
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649559
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone
CID 119651938
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648906
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 71877261
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 71685067
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (CID 124595892) is [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is CNC[C@@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1.
What is the InChIKey of [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is CDRNPFPGHKPOQF-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4OS/c1-16-9-11-5-4-8-19(11)15(20)13-10-21-14(18-13)12-6-2-3-7-17-12/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124595892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).