4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide

C12H17N5O3S — CID 116671038

IUPAC4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2sc(N(C)C)nc2N)C1=O
InChIInChI=1S/C12H17N5O3S/c1-16(2)12-15-9(13)8(21-12)10(19)14-6-4-5-7(18)17(3)11(6)20/h6H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyCAWJSAPTDWBOTC-UHFFFAOYSA-N
MW311.37 g/mol
LogP-0.33
Rot. Bonds3

About 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116671038) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID116671038
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2sc(N(C)C)nc2N)C1=O
InChIInChI=1S/C12H17N5O3S/c1-16(2)12-15-9(13)8(21-12)10(19)14-6-4-5-7(18)17(3)11(6)20/h6H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyCAWJSAPTDWBOTC-UHFFFAOYSA-N
XLogP-0.33
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 116672909
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
CID 80536565
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 106347696
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80856243

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide (CID 116671038) is 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide is CN1C(=O)CCC(NC(=O)c2sc(N(C)C)nc2N)C1=O.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CAWJSAPTDWBOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-16(2)12-15-9(13)8(21-12)10(19)14-6-4-5-7(18)17(3)11(6)20/h6H,4-5,13H2,1-3H3,(H,14,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.37 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).