2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide

C12H20N4OS — CID 80549972

IUPAC2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cscn1)N1CCNCC1
InChIInChI=1S/C12H20N4OS/c1-12(2,16-5-3-13-4-6-16)11(17)14-7-10-8-18-9-15-10/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyPZEILWJJPQDWTJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.44
Rot. Bonds4

About 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide

2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 80549972) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID80549972
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cscn1)N1CCNCC1
InChIInChI=1S/C12H20N4OS/c1-12(2,16-5-3-13-4-6-16)11(17)14-7-10-8-18-9-15-10/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyPZEILWJJPQDWTJ-UHFFFAOYSA-N
XLogP0.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 103813479
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 103814722
5-[[(2-methyl-2-piperazin-1-ylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 80550567
N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914
3-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 55251350
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 80549972) is 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide is CC(C)(C(=O)NCc1cscn1)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is PZEILWJJPQDWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,16-5-3-13-4-6-16)11(17)14-7-10-8-18-9-15-10/h8-9,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 268.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 80549972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).