N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine

C15H26N4S — CID 63009426

IUPACN-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(N2CCC(CN3CCCC3)CC2)s1
InChIInChI=1S/C15H26N4S/c1-16-10-14-11-17-15(20-14)19-8-4-13(5-9-19)12-18-6-2-3-7-18/h11,13,16H,2-10,12H2,1H3
InChIKeyMJHPFDAVYXUCIJ-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 63009426) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID63009426
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(N2CCC(CN3CCCC3)CC2)s1
InChIInChI=1S/C15H26N4S/c1-16-10-14-11-17-15(20-14)19-8-4-13(5-9-19)12-18-6-2-3-7-18/h11,13,16H,2-10,12H2,1H3
InChIKeyMJHPFDAVYXUCIJ-UHFFFAOYSA-N
XLogP2.17
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 63009426) is N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine is CNCc1cnc(N2CCC(CN3CCCC3)CC2)s1.
What is the InChIKey of N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is MJHPFDAVYXUCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-16-10-14-11-17-15(20-14)19-8-4-13(5-9-19)12-18-6-2-3-7-18/h11,13,16H,2-10,12H2,1H3.
What are the key properties of N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63009426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).