N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C14H20N6S — CID 95844414

IUPACN-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCN1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1
InChIInChI=1S/C14H20N6S/c1-3-20-7-5-4-6-12(20)11-8-13(17-10(2)16-11)18-14-19-15-9-21-14/h8-9,12H,3-7H2,1-2H3,(H,16,17,18,19)/t12-/m1/s1
InChIKeyCWHXEEUAYSZHOD-GFCCVEGCSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds4

About N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95844414) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95844414
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCN1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1
InChIInChI=1S/C14H20N6S/c1-3-20-7-5-4-6-12(20)11-8-13(17-10(2)16-11)18-14-19-15-9-21-14/h8-9,12H,3-7H2,1-2H3,(H,16,17,18,19)/t12-/m1/s1
InChIKeyCWHXEEUAYSZHOD-GFCCVEGCSA-N
XLogP2.93
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
N-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820356
N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110255678
1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
2-amino-1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110089950
N-[2-methyl-6-[(2R)-piperidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124964440
N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
CID 110255655
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820358
N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110269981
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124944756
2-[(2R)-2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 95843433

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 95844414) is N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is CCN1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1.
What is the InChIKey of N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CWHXEEUAYSZHOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-20-7-5-4-6-12(20)11-8-13(17-10(2)16-11)18-14-19-15-9-21-14/h8-9,12H,3-7H2,1-2H3,(H,16,17,18,19)/t12-/m1/s1.
What are the key properties of N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95844414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).