5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole

C15H19N3S2 — CID 97160215

IUPAC5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
SMILESCSC[C@@H]1CCCN1Cc1cnc(-c2cccnc2)s1
InChIInChI=1S/C15H19N3S2/c1-19-11-13-5-3-7-18(13)10-14-9-17-15(20-14)12-4-2-6-16-8-12/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3/t13-/m0/s1
InChIKeyNDDWGIIPGQRKPS-ZDUSSCGKSA-N
MW305.47 g/mol
LogP3.53
Rot. Bonds5

About 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole

5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 97160215) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID97160215
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
SMILESCSC[C@@H]1CCCN1Cc1cnc(-c2cccnc2)s1
InChIInChI=1S/C15H19N3S2/c1-19-11-13-5-3-7-18(13)10-14-9-17-15(20-14)12-4-2-6-16-8-12/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3/t13-/m0/s1
InChIKeyNDDWGIIPGQRKPS-ZDUSSCGKSA-N
XLogP3.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole with MolForge

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Related Compounds

5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97159617
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901300
ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
CID 84593468
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 97252891
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136558630
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole (CID 97160215) is 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole is CSC[C@@H]1CCCN1Cc1cnc(-c2cccnc2)s1.
What is the InChIKey of 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is NDDWGIIPGQRKPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-19-11-13-5-3-7-18(13)10-14-9-17-15(20-14)12-4-2-6-16-8-12/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 305.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 97160215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).