4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one

C13H21N5O2S — CID 116666166

IUPAC4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCNC(=O)C2C)s1
InChIInChI=1S/C13H21N5O2S/c1-4-17(5-2)13-16-10(14)9(21-13)12(20)18-7-6-15-11(19)8(18)3/h8H,4-7,14H2,1-3H3,(H,15,19)
InChIKeySFTGQNAKOHFDHX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.53
Rot. Bonds4

About 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one

4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one (PubChem CID 116666166) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one
PubChem CID116666166
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCNC(=O)C2C)s1
InChIInChI=1S/C13H21N5O2S/c1-4-17(5-2)13-16-10(14)9(21-13)12(20)18-7-6-15-11(19)8(18)3/h8H,4-7,14H2,1-3H3,(H,15,19)
InChIKeySFTGQNAKOHFDHX-UHFFFAOYSA-N
XLogP0.53
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 116673825
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672441
3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
CID 63607427
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 116663294
4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
CID 66123902
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672061
4-amino-N-cyclohexyl-2-(diethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116668367
3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 63090398

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one (CID 116666166) is 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one is CCN(CC)c1nc(N)c(C(=O)N2CCNC(=O)C2C)s1.
What is the InChIKey of 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one?
The InChIKey is SFTGQNAKOHFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-4-17(5-2)13-16-10(14)9(21-13)12(20)18-7-6-15-11(19)8(18)3/h8H,4-7,14H2,1-3H3,(H,15,19).
What are the key properties of 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one?
4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one has a molecular weight of 311.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 116666166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).