3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C13H17N3OS — CID 112568503

IUPAC3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCC(C)Oc1cccnc1NC(C)c1nccs1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-11-5-4-6-14-12(11)16-10(3)13-15-7-8-18-13/h4-10H,1-3H3,(H,14,16)
InChIKeyCHTLBZORVIQFJD-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.50
Rot. Bonds5

About 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 112568503) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID112568503
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCC(C)Oc1cccnc1NC(C)c1nccs1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-11-5-4-6-14-12(11)16-10(3)13-15-7-8-18-13/h4-10H,1-3H3,(H,14,16)
InChIKeyCHTLBZORVIQFJD-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
N-(2-methylpentan-3-yl)-3-propan-2-yloxypyridin-2-amine
CID 113370845
3-ethoxy-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 114127933
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-yloxypyridin-2-amine
CID 102914136
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 112568503) is 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine is CC(C)Oc1cccnc1NC(C)c1nccs1.
What is the InChIKey of 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is CHTLBZORVIQFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)17-11-5-4-6-14-12(11)16-10(3)13-15-7-8-18-13/h4-10H,1-3H3,(H,14,16).
What are the key properties of 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 112568503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).