N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C19H28N4S — CID 56895456

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCCc1nc(C)sc1CN(Cc1ccncc1)C1CCN(C)CC1
InChIInChI=1S/C19H28N4S/c1-4-18-19(24-15(2)21-18)14-23(13-16-5-9-20-10-6-16)17-7-11-22(3)12-8-17/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3
InChIKeyXIOFPDZGYGAPIJ-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 56895456) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID56895456
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCCc1nc(C)sc1CN(Cc1ccncc1)C1CCN(C)CC1
InChIInChI=1S/C19H28N4S/c1-4-18-19(24-15(2)21-18)14-23(13-16-5-9-20-10-6-16)17-7-11-22(3)12-8-17/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3
InChIKeyXIOFPDZGYGAPIJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 56895456) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CCc1nc(C)sc1CN(Cc1ccncc1)C1CCN(C)CC1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is XIOFPDZGYGAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-4-18-19(24-15(2)21-18)14-23(13-16-5-9-20-10-6-16)17-7-11-22(3)12-8-17/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 344.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56895456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).