2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H20N6O2S2 — CID 163368449

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3nccs3)CC2)s1
InChIInChI=1S/C15H20N6O2S2/c1-11(22)18-15-17-8-12(25-15)9-20-3-5-21(6-4-20)10-13(23)19-14-16-2-7-24-14/h2,7-8H,3-6,9-10H2,1H3,(H,16,19,23)(H,17,18,22)
InChIKeyDTUIVHQNILWEHS-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 163368449) has the molecular formula C15H20N6O2S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID163368449
Molecular FormulaC15H20N6O2S2
Molecular Weight380.50 g/mol
Exact Mass380.11
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3nccs3)CC2)s1
InChIInChI=1S/C15H20N6O2S2/c1-11(22)18-15-17-8-12(25-15)9-20-3-5-21(6-4-20)10-13(23)19-14-16-2-7-24-14/h2,7-8H,3-6,9-10H2,1H3,(H,16,19,23)(H,17,18,22)
InChIKeyDTUIVHQNILWEHS-UHFFFAOYSA-N
XLogP1.31
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-pyrazin-2-ylacetamide
CID 163368436
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
N-(5-(piperazin-1-ylmethyl)thiazol-2-yl)acetamide
CID 60175141
(2S)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
CID 95132332
(2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95772589
N-[4-[[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97879576
N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 91248792
N-(1,3-thiazol-2-yl)-2-{4-[(N-(1,3-thiazol-2-yl)carbamoyl)methyl]piperazinyl}a cetamide
CID 1240703
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1439216
2-[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]-N-1,3-thiazol-2-ylpropanamide
CID 50970606
N-(5-(piperazin-1-ylmethyl)thiazol-2-yl)acetamide dihydrochloride
CID 71308050
5-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 88882435

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 163368449) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3nccs3)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DTUIVHQNILWEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S2/c1-11(22)18-15-17-8-12(25-15)9-20-3-5-21(6-4-20)10-13(23)19-14-16-2-7-24-14/h2,7-8H,3-6,9-10H2,1H3,(H,16,19,23)(H,17,18,22).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 380.50 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 163368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).