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

C13H17N3S — CID 164769653

IUPAC4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)(CCc1ccccn1)c1csc(N)n1
InChIInChI=1S/C13H17N3S/c1-13(2,11-9-17-12(14)16-11)7-6-10-5-3-4-8-15-10/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16)
InChIKeyMDFOPXUYJDZQJH-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.03
Rot. Bonds4

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

4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 164769653) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID164769653
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)(CCc1ccccn1)c1csc(N)n1
InChIInChI=1S/C13H17N3S/c1-13(2,11-9-17-12(14)16-11)7-6-10-5-3-4-8-15-10/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16)
InChIKeyMDFOPXUYJDZQJH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
2-(5,5-dimethylhexyl)pyridine
CID 151657269
(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
CID 92532437
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea
CID 154775226
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-(4,4-dimethylhexyl)pyridine
CID 57111041
2-(3,3-dimethylhept-6-enyl)pyridine
CID 91019951
(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 135132634
5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
CID 79547302

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine (CID 164769653) is 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine is CC(C)(CCc1ccccn1)c1csc(N)n1.
What is the InChIKey of 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is MDFOPXUYJDZQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,11-9-17-12(14)16-11)7-6-10-5-3-4-8-15-10/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine?
4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-pyridin-2-ylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164769653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).