N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H26N4O2S — CID 111695291

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)CC(O)CN2CCN(C)CC2)cs1
InChIInChI=1S/C15H26N4O2S/c1-12-16-13(11-22-12)8-15(21)18(3)9-14(20)10-19-6-4-17(2)5-7-19/h11,14,20H,4-10H2,1-3H3
InChIKeyLGVZPZOWLBFZFD-UHFFFAOYSA-N
MW326.47 g/mol
LogP0.06
Rot. Bonds6

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 111695291) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID111695291
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)CC(O)CN2CCN(C)CC2)cs1
InChIInChI=1S/C15H26N4O2S/c1-12-16-13(11-22-12)8-15(21)18(3)9-14(20)10-19-6-4-17(2)5-7-19/h11,14,20H,4-10H2,1-3H3
InChIKeyLGVZPZOWLBFZFD-UHFFFAOYSA-N
XLogP0.06
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Morpholin-4-yl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 45819394
1-(2,5-Dimethylmorpholin-4-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 53527424
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60538070
(3S)-3-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine
CID 70724854
N-{2-[2-(Hydroxymethyl)piperidin-1-YL]ethyl}-2-(2-methyl-1,3-thiazol-4-YL)acetamide
CID 72861292
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 94025992
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 118793059
2-(2-Methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone
CID 47005401
4-[(2-Methyl-1,3-thiazol-4-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 70735143
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95870117
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95870118
2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726115

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 111695291) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(C)CC(O)CN2CCN(C)CC2)cs1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LGVZPZOWLBFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-16-13(11-22-12)8-15(21)18(3)9-14(20)10-19-6-4-17(2)5-7-19/h11,14,20H,4-10H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 326.47 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 111695291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).