(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide

C14H24N4OS — CID 125129943

IUPAC(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
SMILESC[C@H](C(=O)NCCCc1nccs1)N1CCN(C)CC1
InChIInChI=1S/C14H24N4OS/c1-12(18-9-7-17(2)8-10-18)14(19)16-5-3-4-13-15-6-11-20-13/h6,11-12H,3-5,7-10H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyOZGNOJWDNZNBKC-GFCCVEGCSA-N
MW296.44 g/mol
LogP0.83
Rot. Bonds6

About (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide

(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 125129943) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
PubChem CID125129943
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
SMILESC[C@H](C(=O)NCCCc1nccs1)N1CCN(C)CC1
InChIInChI=1S/C14H24N4OS/c1-12(18-9-7-17(2)8-10-18)14(19)16-5-3-4-13-15-6-11-20-13/h6,11-12H,3-5,7-10H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyOZGNOJWDNZNBKC-GFCCVEGCSA-N
XLogP0.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
CID 126452069
N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919342
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 121499949
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175411
(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 125166787
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 126446137
4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]amino]butanoic acid
CID 63241082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide (CID 125129943) is (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide is C[C@H](C(=O)NCCCc1nccs1)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is OZGNOJWDNZNBKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-12(18-9-7-17(2)8-10-18)14(19)16-5-3-4-13-15-6-11-20-13/h6,11-12H,3-5,7-10H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide?
(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 125129943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).