4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C13H17N5S — CID 124993584

IUPAC4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCN1CCCC[C@H]1c1csc(Nc2ncccn2)n1
InChIInChI=1S/C13H17N5S/c1-18-8-3-2-5-11(18)10-9-19-13(16-10)17-12-14-6-4-7-15-12/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,14,15,16,17)/t11-/m0/s1
InChIKeyPYTAPVBBRBPMAK-NSHDSACASA-N
MW275.38 g/mol
LogP2.83
Rot. Bonds3

About 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 124993584) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID124993584
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCN1CCCC[C@H]1c1csc(Nc2ncccn2)n1
InChIInChI=1S/C13H17N5S/c1-18-8-3-2-5-11(18)10-9-19-13(16-10)17-12-14-6-4-7-15-12/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,14,15,16,17)/t11-/m0/s1
InChIKeyPYTAPVBBRBPMAK-NSHDSACASA-N
XLogP2.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-1-propan-2-ylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 124976453
N-[4-(1-methylpiperidin-2-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 155983128
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
CID 175655896
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115035664
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 124993584) is 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is CN1CCCC[C@H]1c1csc(Nc2ncccn2)n1.
What is the InChIKey of 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is PYTAPVBBRBPMAK-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5S/c1-18-8-3-2-5-11(18)10-9-19-13(16-10)17-12-14-6-4-7-15-12/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,14,15,16,17)/t11-/m0/s1.
What are the key properties of 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 124993584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).