3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine

C14H19N3S — CID 116968292

IUPAC3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)(CCN)Cc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H19N3S/c1-14(2,5-6-15)8-13-17-12(10-18-13)11-4-3-7-16-9-11/h3-4,7,9-10H,5-6,8,15H2,1-2H3
InChIKeyYYCAQEISXZKRDL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.12
Rot. Bonds5

About 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine

3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 116968292) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID116968292
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)(CCN)Cc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H19N3S/c1-14(2,5-6-15)8-13-17-12(10-18-13)11-4-3-7-16-9-11/h3-4,7,9-10H,5-6,8,15H2,1-2H3
InChIKeyYYCAQEISXZKRDL-UHFFFAOYSA-N
XLogP3.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81022146
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
CID 116867966
N-(3,5-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110408417
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine (CID 116968292) is 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine is CC(C)(CCN)Cc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is YYCAQEISXZKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(2,5-6-15)8-13-17-12(10-18-13)11-4-3-7-16-9-11/h3-4,7,9-10H,5-6,8,15H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine?
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 116968292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).