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

C15H26N4OS — CID 125176041

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1nc([C@H](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)/t11-/m0/s1
InChIKeyLFQNXFYLSAOGBG-NSHDSACASA-N
MW310.47 g/mol
LogP1.57
Rot. Bonds5

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

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 125176041) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID125176041
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1nc([C@H](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)/t11-/m0/s1
InChIKeyLFQNXFYLSAOGBG-NSHDSACASA-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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Related Compounds

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 125171350
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 124755441
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine
CID 83009773
3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide
CID 91788298
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 43101627
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91784680
2-(4,5-dimethylimidazol-1-yl)-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 125166958
3-[3-(4-methylpiperazin-1-yl)propanoylamino]butanoic acid
CID 110834607
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90652251
2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
CID 65059809
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 125165596

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 125176041) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is Cc1nc([C@H](C)NC(=O)CCN2CCN(C)CC2)c(C)s1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is LFQNXFYLSAOGBG-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(1S)-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-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 125176041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).