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

C14H17N5O2S — CID 125027161

IUPACN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1cncs1
InChIInChI=1S/C14H17N5O2S/c20-12(11-7-15-10-22-11)18-8-14(21)3-1-6-19(9-14)13-16-4-2-5-17-13/h2,4-5,7,10,21H,1,3,6,8-9H2,(H,18,20)/t14-/m1/s1
InChIKeyZYVBSCGSKUPDBL-CQSZACIVSA-N
MW319.39 g/mol
LogP0.69
Rot. Bonds4

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

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 125027161) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID125027161
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1cncs1
InChIInChI=1S/C14H17N5O2S/c20-12(11-7-15-10-22-11)18-8-14(21)3-1-6-19(9-14)13-16-4-2-5-17-13/h2,4-5,7,10,21H,1,3,6,8-9H2,(H,18,20)/t14-/m1/s1
InChIKeyZYVBSCGSKUPDBL-CQSZACIVSA-N
XLogP0.69
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
4-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]-4-oxobutanoic acid
CID 124963417
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
CID 124996932
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 124997099
3-ethyl-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 110123666
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124947808
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124980268
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-(methoxymethyl)benzamide
CID 124962659
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 124977910
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123712
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 124989158

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 125027161) is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1cncs1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZYVBSCGSKUPDBL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-12(11-7-15-10-22-11)18-8-14(21)3-1-6-19(9-14)13-16-4-2-5-17-13/h2,4-5,7,10,21H,1,3,6,8-9H2,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125027161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).