N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide

C15H26N4OS — CID 118793013

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1nc(C(C)NC(=O)CCN2CCN(C)CC2)c(C)s1
InChIInChI=1S/C15H26N4OS/c1-11(15-12(2)21-13(3)17-15)16-14(20)5-6-19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyLFQNXFYLSAOGBG-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.57
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 118793013) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID118793013
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1nc(C(C)NC(=O)CCN2CCN(C)CC2)c(C)s1
InChIInChI=1S/C15H26N4OS/c1-11(15-12(2)21-13(3)17-15)16-14(20)5-6-19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyLFQNXFYLSAOGBG-UHFFFAOYSA-N
XLogP1.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 118793013) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is Cc1nc(C(C)NC(=O)CCN2CCN(C)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is LFQNXFYLSAOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11(15-12(2)21-13(3)17-15)16-14(20)5-6-19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,20).
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 310.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 118793013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).