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

C13H17N3O3S — CID 146124021

IUPACN-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O3S/c1-6(2)13-14-7(3)10(20-13)12(19)15-8-4-5-9(17)16-11(8)18/h6,8H,4-5H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyXKMSEAHXNIQYIU-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.11
Rot. Bonds3

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

N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 146124021) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID146124021
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O3S/c1-6(2)13-14-7(3)10(20-13)12(19)15-8-4-5-9(17)16-11(8)18/h6,8H,4-5H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyXKMSEAHXNIQYIU-UHFFFAOYSA-N
XLogP1.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46452899
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618531
methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 55808952
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021
N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 156604265

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 146124021) is N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XKMSEAHXNIQYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-6(2)13-14-7(3)10(20-13)12(19)15-8-4-5-9(17)16-11(8)18/h6,8H,4-5H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).