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

C13H17N3S — CID 116965254

IUPAC2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C13H17N3S/c1-13(2,14)6-5-12-16-11(9-17-12)10-4-3-7-15-8-10/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeySNTFTGBPQJZGGF-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.88
Rot. Bonds4

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

2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 116965254) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID116965254
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C13H17N3S/c1-13(2,14)6-5-12-16-11(9-17-12)10-4-3-7-15-8-10/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeySNTFTGBPQJZGGF-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine (CID 116965254) is 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine is CC(C)(N)CCc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is SNTFTGBPQJZGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,14)6-5-12-16-11(9-17-12)10-4-3-7-15-8-10/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine?
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 116965254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).