N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C16H23N5S — CID 95821882

IUPACN-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCC(C)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1
InChIInChI=1S/C16H23N5S/c1-12(2)21-6-3-4-13(10-21)8-14-9-15(19-11-18-14)20-16-17-5-7-22-16/h5,7,9,11-13H,3-4,6,8,10H2,1-2H3,(H,17,18,19,20)/t13-/m1/s1
InChIKeyAFAIOGMFYYFLDB-CYBMUJFWSA-N
MW317.46 g/mol
LogP3.34
Rot. Bonds5

About N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 95821882) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID95821882
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCC(C)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1
InChIInChI=1S/C16H23N5S/c1-12(2)21-6-3-4-13(10-21)8-14-9-15(19-11-18-14)20-16-17-5-7-22-16/h5,7,9,11-13H,3-4,6,8,10H2,1-2H3,(H,17,18,19,20)/t13-/m1/s1
InChIKeyAFAIOGMFYYFLDB-CYBMUJFWSA-N
XLogP3.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[6-[[(3S)-1-(oxan-4-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125026206
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254
4-(dimethylamino)-1-[4-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]but-2-en-1-one
CID 171147417
2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol
CID 95844665
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
tert-butyl (3S)-3-[[6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843275
N-[6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124980742
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124965942
6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
CID 124974272

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 95821882) is N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is CC(C)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1.
What is the InChIKey of N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is AFAIOGMFYYFLDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12(2)21-6-3-4-13(10-21)8-14-9-15(19-11-18-14)20-16-17-5-7-22-16/h5,7,9,11-13H,3-4,6,8,10H2,1-2H3,(H,17,18,19,20)/t13-/m1/s1.
What are the key properties of N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 317.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95821882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).