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

C17H24N4S2 — CID 75380784

IUPACN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESc1nc(CN2CCC(NCc3cnc(C4CCC4)s3)CC2)cs1
InChIInChI=1S/C17H24N4S2/c1-2-13(3-1)17-19-9-16(23-17)8-18-14-4-6-21(7-5-14)10-15-11-22-12-20-15/h9,11-14,18H,1-8,10H2
InChIKeyNLZYKPVBABPPEJ-UHFFFAOYSA-N
MW348.54 g/mol
LogP3.62
Rot. Bonds6

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

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 75380784) has the molecular formula C17H24N4S2 and a molecular weight of 348.54 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
PubChem CID75380784
Molecular FormulaC17H24N4S2
Molecular Weight348.54 g/mol
Exact Mass348.14
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESc1nc(CN2CCC(NCc3cnc(C4CCC4)s3)CC2)cs1
InChIInChI=1S/C17H24N4S2/c1-2-13(3-1)17-19-9-16(23-17)8-18-14-4-6-21(7-5-14)10-15-11-22-12-20-15/h9,11-14,18H,1-8,10H2
InChIKeyNLZYKPVBABPPEJ-UHFFFAOYSA-N
XLogP3.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (CID 75380784) is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is c1nc(CN2CCC(NCc3cnc(C4CCC4)s3)CC2)cs1.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is NLZYKPVBABPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S2/c1-2-13(3-1)17-19-9-16(23-17)8-18-14-4-6-21(7-5-14)10-15-11-22-12-20-15/h9,11-14,18H,1-8,10H2.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 348.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75380784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).