5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole

C13H16N4S — CID 124980487

IUPAC5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc([C@@H]2CCCN(Cc3cncs3)C2)ncn1
InChIInChI=1S/C13H16N4S/c1-2-11(13-3-4-14-9-16-13)7-17(5-1)8-12-6-15-10-18-12/h3-4,6,9-11H,1-2,5,7-8H2/t11-/m1/s1
InChIKeyMJEPKFLZEUHSHM-LLVKDONJSA-N
MW260.37 g/mol
LogP2.31
Rot. Bonds3

About 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole

5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124980487) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124980487
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc([C@@H]2CCCN(Cc3cncs3)C2)ncn1
InChIInChI=1S/C13H16N4S/c1-2-11(13-3-4-14-9-16-13)7-17(5-1)8-12-6-15-10-18-12/h3-4,6,9-11H,1-2,5,7-8H2/t11-/m1/s1
InChIKeyMJEPKFLZEUHSHM-LLVKDONJSA-N
XLogP2.31
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459
5-tert-butyl-3-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95353474
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole (CID 124980487) is 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole is c1cc([C@@H]2CCCN(Cc3cncs3)C2)ncn1.
What is the InChIKey of 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is MJEPKFLZEUHSHM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-11(13-3-4-14-9-16-13)7-17(5-1)8-12-6-15-10-18-12/h3-4,6,9-11H,1-2,5,7-8H2/t11-/m1/s1.
What are the key properties of 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole?
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124980487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).