N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide

C15H19N5O2S — CID 110123709

IUPACN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC1(O)CCCN(c2ncccn2)C1)C(=O)c1cncs1
InChIInChI=1S/C15H19N5O2S/c1-19(13(21)12-8-16-11-23-12)9-15(22)4-2-7-20(10-15)14-17-5-3-6-18-14/h3,5-6,8,11,22H,2,4,7,9-10H2,1H3
InChIKeyIUQVRIZYYCXTKV-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.04
Rot. Bonds4

About N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110123709) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID110123709
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC1(O)CCCN(c2ncccn2)C1)C(=O)c1cncs1
InChIInChI=1S/C15H19N5O2S/c1-19(13(21)12-8-16-11-23-12)9-15(22)4-2-7-20(10-15)14-17-5-3-6-18-14/h3,5-6,8,11,22H,2,4,7,9-10H2,1H3
InChIKeyIUQVRIZYYCXTKV-UHFFFAOYSA-N
XLogP1.04
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110271243
Pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739956
(4-Pyrimidin-2-ylpiperazin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110854969
2-[[6-[4-(Hydroxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 140471408
(2-Tert-butyl-1,3-thiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 56819834
1-[(Pyrimidin-2-ylthio)acetyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70712392
(4-Ethylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 72023793
[4-(2-Hydroxypropyl)piperazin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 72142504
(2-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95846163
(2-methylpyrimidin-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95846164
[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 96016497
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 96016498

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 110123709) is N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(CC1(O)CCCN(c2ncccn2)C1)C(=O)c1cncs1.
What is the InChIKey of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IUQVRIZYYCXTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-19(13(21)12-8-16-11-23-12)9-15(22)4-2-7-20(10-15)14-17-5-3-6-18-14/h3,5-6,8,11,22H,2,4,7,9-10H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110123709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).