4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

C12H19N5O2S — CID 62792932

IUPAC4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1nc(N)sc1C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H19N5O2S/c1-8-9(20-11(13)14-8)10(18)16-4-6-17(7-5-16)12(19)15(2)3/h4-7H2,1-3H3,(H2,13,14)
InChIKeyFFSIDUOGMMLREI-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.47
Rot. Bonds1

About 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 62792932) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID62792932
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1nc(N)sc1C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H19N5O2S/c1-8-9(20-11(13)14-8)10(18)16-4-6-17(7-5-16)12(19)15(2)3/h4-7H2,1-3H3,(H2,13,14)
InChIKeyFFSIDUOGMMLREI-UHFFFAOYSA-N
XLogP0.47
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62793947
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 62793779
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123482
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409280
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (CID 62792932) is 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is Cc1nc(N)sc1C(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is FFSIDUOGMMLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-8-9(20-11(13)14-8)10(18)16-4-6-17(7-5-16)12(19)15(2)3/h4-7H2,1-3H3,(H2,13,14).
What are the key properties of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 62792932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).