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

C18H20N6S — CID 110267234

IUPACN-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESc1cc(CN2CCCCC2c2ccnc(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)
InChIKeyDMNWBERAAYXNFR-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.80
Rot. Bonds5

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

N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 110267234) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID110267234
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESc1cc(CN2CCCCC2c2ccnc(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)
InChIKeyDMNWBERAAYXNFR-UHFFFAOYSA-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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Related Compounds

N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837562
N-[4-(1-methylpiperidin-2-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 155983128
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110267168
N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
CID 95837810
N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124944756
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837680
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 110267234) is N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine is c1cc(CN2CCCCC2c2ccnc(Nc3nccs3)n2)ccn1.
What is the InChIKey of N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is DMNWBERAAYXNFR-UHFFFAOYSA-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).
What are the key properties of N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine?
N-[4-[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-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110267234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).