(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

C15H19N3O2S — CID 114679778

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCC(O)C(C)C3)c2)cs1
InChIInChI=1S/C15H19N3O2S/c1-9-7-18(4-3-14(9)19)15(20)12-5-11(6-16-12)13-8-21-10(2)17-13/h5-6,8-9,14,16,19H,3-4,7H2,1-2H3
InChIKeyFHJHOJYWRKADBS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.29
Rot. Bonds2

About (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone

(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone (PubChem CID 114679778) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
PubChem CID114679778
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCC(O)C(C)C3)c2)cs1
InChIInChI=1S/C15H19N3O2S/c1-9-7-18(4-3-14(9)19)15(20)12-5-11(6-16-12)13-8-21-10(2)17-13/h5-6,8-9,14,16,19H,3-4,7H2,1-2H3
InChIKeyFHJHOJYWRKADBS-UHFFFAOYSA-N
XLogP2.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 35815183
1-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]piperidine-3-carboxylic acid
CID 16780162
[3-(hydroxymethyl)piperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43422248
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 120657233
[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-[3-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 166244792
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 95306572
(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 119470551
[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 61410786
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 120749964
1-[2-[methyl-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235770
[4-(2-cyclopropyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 35618751

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone (CID 114679778) is (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone is Cc1nc(-c2c[nH]c(C(=O)N3CCC(O)C(C)C3)c2)cs1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
The InChIKey is FHJHOJYWRKADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-18(4-3-14(9)19)15(20)12-5-11(6-16-12)13-8-21-10(2)17-13/h5-6,8-9,14,16,19H,3-4,7H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone has a molecular weight of 305.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 114679778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).