3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C17H24N4O2S — CID 154736522

IUPAC3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)sc2nccn12
InChIInChI=1S/C17H24N4O2S/c1-11(2)10-14(22)20-7-4-13(5-8-20)19-16(23)15-12(3)21-9-6-18-17(21)24-15/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,19,23)
InChIKeyTYTLERJDEWTXEM-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.47
Rot. Bonds4

About 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 154736522) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID154736522
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)sc2nccn12
InChIInChI=1S/C17H24N4O2S/c1-11(2)10-14(22)20-7-4-13(5-8-20)19-16(23)15-12(3)21-9-6-18-17(21)24-15/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,19,23)
InChIKeyTYTLERJDEWTXEM-UHFFFAOYSA-N
XLogP2.47
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154737089
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 154736522) is 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)sc2nccn12.
What is the InChIKey of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is TYTLERJDEWTXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11(2)10-14(22)20-7-4-13(5-8-20)19-16(23)15-12(3)21-9-6-18-17(21)24-15/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,19,23).
What are the key properties of 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 154736522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).