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

C18H20N6S — CID 95837562

IUPACN-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESc1cc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)ccn1
InChIInChI=1S/C18H20N6S/c1-2-11-24(13-14-4-7-19-8-5-14)16(3-1)15-6-9-20-17(22-15)23-18-21-10-12-25-18/h4-10,12,16H,1-3,11,13H2,(H,20,21,22,23)/t16-/m0/s1
InChIKeyDMNWBERAAYXNFR-INIZCTEOSA-N
MW352.47 g/mol
LogP3.80
Rot. Bonds5

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

N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 95837562) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID95837562
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESc1cc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)ccn1
InChIInChI=1S/C18H20N6S/c1-2-11-24(13-14-4-7-19-8-5-14)16(3-1)15-6-9-20-17(22-15)23-18-21-10-12-25-18/h4-10,12,16H,1-3,11,13H2,(H,20,21,22,23)/t16-/m0/s1
InChIKeyDMNWBERAAYXNFR-INIZCTEOSA-N
XLogP3.80
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 95837562) is N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine is c1cc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)ccn1.
What is the InChIKey of N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is DMNWBERAAYXNFR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N6S/c1-2-11-24(13-14-4-7-19-8-5-14)16(3-1)15-6-9-20-17(22-15)23-18-21-10-12-25-18/h4-10,12,16H,1-3,11,13H2,(H,20,21,22,23)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95837562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).