N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C16H22N4S — CID 79702191

IUPACN-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1csc(-c2ccccn2)n1)CC1CCNCC1
InChIInChI=1S/C16H22N4S/c1-20(10-13-5-8-17-9-6-13)11-14-12-21-16(19-14)15-4-2-3-7-18-15/h2-4,7,12-13,17H,5-6,8-11H2,1H3
InChIKeyGKYYVKPBFBJAKT-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 79702191) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID79702191
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1csc(-c2ccccn2)n1)CC1CCNCC1
InChIInChI=1S/C16H22N4S/c1-20(10-13-5-8-17-9-6-13)11-14-12-21-16(19-14)15-4-2-3-7-18-15/h2-4,7,12-13,17H,5-6,8-11H2,1H3
InChIKeyGKYYVKPBFBJAKT-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 79702191) is N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is CN(Cc1csc(-c2ccccn2)n1)CC1CCNCC1.
What is the InChIKey of N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GKYYVKPBFBJAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-20(10-13-5-8-17-9-6-13)11-14-12-21-16(19-14)15-4-2-3-7-18-15/h2-4,7,12-13,17H,5-6,8-11H2,1H3.
What are the key properties of N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 302.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79702191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).