2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole

C15H19N3OS — CID 164638662

IUPAC2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESCc1cc(N2CC[C@H](OCc3csc(C)n3)C2)ccn1
InChIInChI=1S/C15H19N3OS/c1-11-7-14(3-5-16-11)18-6-4-15(8-18)19-9-13-10-20-12(2)17-13/h3,5,7,10,15H,4,6,8-9H2,1-2H3/t15-/m0/s1
InChIKeyZEPCURFHCKSEDU-HNNXBMFYSA-N
MW289.40 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole

2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole (PubChem CID 164638662) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
PubChem CID164638662
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESCc1cc(N2CC[C@H](OCc3csc(C)n3)C2)ccn1
InChIInChI=1S/C15H19N3OS/c1-11-7-14(3-5-16-11)18-6-4-15(8-18)19-9-13-10-20-12(2)17-13/h3,5,7,10,15H,4,6,8-9H2,1-2H3/t15-/m0/s1
InChIKeyZEPCURFHCKSEDU-HNNXBMFYSA-N
XLogP2.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,3aS,7aR)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-2-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97366329
(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378626
(3S,3aS,7aR)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461612
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 75374971
4-(Dimethoxymethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 79719502
4-(Dimethoxymethyl)-2-(3-fluoro-2-pyridinyl)-1,3-thiazole
CID 81603174
1,5-anhydro-2,3-dideoxy-3-[(3-fluoropyridin-4-yl)amino]-4-O-(1,3-thiazol-4-ylmethyl)-D-threo-pentitol
CID 91760142
2-(3-Fluoro-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511827
2-(3-Fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512025
2-(5-Fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512057
2-Methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 126806812
(2-Pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 41894351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole (CID 164638662) is 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole is Cc1cc(N2CC[C@H](OCc3csc(C)n3)C2)ccn1.
What is the InChIKey of 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The InChIKey is ZEPCURFHCKSEDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-7-14(3-5-16-11)18-6-4-15(8-18)19-9-13-10-20-12(2)17-13/h3,5,7,10,15H,4,6,8-9H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(3S)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 164638662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).