N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

C18H25N3OS — CID 91834910

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(CC(C)(C)C)c2cccnc2)c(C)s1
InChIInChI=1S/C18H25N3OS/c1-12-15(20-13(2)23-12)9-17(22)21-16(10-18(3,4)5)14-7-6-8-19-11-14/h6-8,11,16H,9-10H2,1-5H3,(H,21,22)
InChIKeyDBXNZQRKPVFTOU-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.99
Rot. Bonds5

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91834910) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID91834910
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(CC(C)(C)C)c2cccnc2)c(C)s1
InChIInChI=1S/C18H25N3OS/c1-12-15(20-13(2)23-12)9-17(22)21-16(10-18(3,4)5)14-7-6-8-19-11-14/h6-8,11,16H,9-10H2,1-5H3,(H,21,22)
InChIKeyDBXNZQRKPVFTOU-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 95209344
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
2-[3-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]phenyl]-N-methylacetamide
CID 126442574
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797
N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
CID 50948802
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888
6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 125443026

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 91834910) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC(CC(C)(C)C)c2cccnc2)c(C)s1.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DBXNZQRKPVFTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-12-15(20-13(2)23-12)9-17(22)21-16(10-18(3,4)5)14-7-6-8-19-11-14/h6-8,11,16H,9-10H2,1-5H3,(H,21,22).
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91834910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).