2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide

C12H19N5O2S — CID 62789109

IUPAC2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H19N5O2S/c1-15(2)10(18)7-16-3-5-17(6-4-16)11(19)9-8-20-12(13)14-9/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyHPSUGIZCRIYLSD-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.43
Rot. Bonds3

About 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 62789109) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID62789109
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H19N5O2S/c1-15(2)10(18)7-16-3-5-17(6-4-16)11(19)9-8-20-12(13)14-9/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyHPSUGIZCRIYLSD-UHFFFAOYSA-N
XLogP-0.43
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 62787216
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
2-[4-(5-aminopyridine-2-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 81311913
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
N,N-dimethyl-2-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 63049420
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
2-[4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 62794359
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
CID 120640636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 62789109) is 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is HPSUGIZCRIYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-15(2)10(18)7-16-3-5-17(6-4-16)11(19)9-8-20-12(13)14-9/h8H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 297.38 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 62789109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).