3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

C16H27N3OS — CID 51298761

IUPAC3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC1CCCN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3OS/c1-12-6-5-7-19(9-12)10-13-11-21-15(17-13)18-14(20)8-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,18,20)
InChIKeyMUJFXIKXGPQYJW-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.75
Rot. Bonds4

About 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 51298761) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID51298761
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC1CCCN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1
InChIInChI=1S/C16H27N3OS/c1-12-6-5-7-19(9-12)10-13-11-21-15(17-13)18-14(20)8-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,18,20)
InChIKeyMUJFXIKXGPQYJW-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
CID 119831153
2-(2,6-dichlorophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46679995
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 46680102
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119831162
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51298742
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-pyrazol-1-ylbutanamide
CID 94810560
(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide
CID 51860796
3-(2-aminophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 120612022
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (CID 51298761) is 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is CC1CCCN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1.
What is the InChIKey of 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is MUJFXIKXGPQYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12-6-5-7-19(9-12)10-13-11-21-15(17-13)18-14(20)8-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,18,20).
What are the key properties of 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 309.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 51298761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).