N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C15H26N4O2S — CID 95978180

IUPACN-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC[C@@H]1CN(Cc2csc(NC(C)=O)n2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H26N4O2S/c1-4-14-9-18(5-6-19(14)7-11(2)20)8-13-10-22-15(17-13)16-12(3)21/h10-11,14,20H,4-9H2,1-3H3,(H,16,17,21)/t11-,14-/m1/s1
InChIKeySQBULSBPGJLDCP-BXUZGUMPSA-N
MW326.47 g/mol
LogP1.38
Rot. Bonds6

About N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95978180) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95978180
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC[C@@H]1CN(Cc2csc(NC(C)=O)n2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H26N4O2S/c1-4-14-9-18(5-6-19(14)7-11(2)20)8-13-10-22-15(17-13)16-12(3)21/h10-11,14,20H,4-9H2,1-3H3,(H,16,17,21)/t11-,14-/m1/s1
InChIKeySQBULSBPGJLDCP-BXUZGUMPSA-N
XLogP1.38
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
CID 98767333
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119924458
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 97027064
N-[4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 114961490
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 154747941

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95978180) is N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC[C@@H]1CN(Cc2csc(NC(C)=O)n2)CCN1C[C@@H](C)O.
What is the InChIKey of N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SQBULSBPGJLDCP-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-14-9-18(5-6-19(14)7-11(2)20)8-13-10-22-15(17-13)16-12(3)21/h10-11,14,20H,4-9H2,1-3H3,(H,16,17,21)/t11-,14-/m1/s1.
What are the key properties of N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 326.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95978180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).