N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C18H26N6OS — CID 175648844

IUPACN-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ncsc1CN1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H26N6OS/c1-14-16(26-13-20-14)12-23-6-3-15(4-7-23)21-17-2-5-19-18(22-17)24-8-10-25-11-9-24/h2,5,13,15H,3-4,6-12H2,1H3,(H,19,21,22)
InChIKeyFHBJJDLZUSAJRW-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.15
Rot. Bonds5

About N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175648844) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175648844
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ncsc1CN1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H26N6OS/c1-14-16(26-13-20-14)12-23-6-3-15(4-7-23)21-17-2-5-19-18(22-17)24-8-10-25-11-9-24/h2,5,13,15H,3-4,6-12H2,1H3,(H,19,21,22)
InChIKeyFHBJJDLZUSAJRW-UHFFFAOYSA-N
XLogP2.15
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 175648844) is N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1ncsc1CN1CCC(Nc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is FHBJJDLZUSAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-14-16(26-13-20-14)12-23-6-3-15(4-7-23)21-17-2-5-19-18(22-17)24-8-10-25-11-9-24/h2,5,13,15H,3-4,6-12H2,1H3,(H,19,21,22).
What are the key properties of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 374.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175648844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).