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

C19H24N4OS — CID 125016408

IUPAC(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1
InChIInChI=1S/C19H24N4OS/c1-14-18(25-13-21-14)19(24)23-10-4-5-17(23)15-6-7-20-16(11-15)12-22-8-2-3-9-22/h6-7,11,13,17H,2-5,8-10,12H2,1H3/t17-/m0/s1
InChIKeyXAJDHMZINCWJBI-KRWDZBQOSA-N
MW356.50 g/mol
LogP3.42
Rot. Bonds4

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

(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 125016408) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID125016408
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1
InChIInChI=1S/C19H24N4OS/c1-14-18(25-13-21-14)19(24)23-10-4-5-17(23)15-6-7-20-16(11-15)12-22-8-2-3-9-22/h6-7,11,13,17H,2-5,8-10,12H2,1H3/t17-/m0/s1
InChIKeyXAJDHMZINCWJBI-KRWDZBQOSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110130702
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124972218
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[4-[1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095748
[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124998077
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95832696

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone (CID 125016408) is (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is XAJDHMZINCWJBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-18(25-13-21-14)19(24)23-10-4-5-17(23)15-6-7-20-16(11-15)12-22-8-2-3-9-22/h6-7,11,13,17H,2-5,8-10,12H2,1H3/t17-/m0/s1.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 356.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125016408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).