5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C14H18N4S — CID 103365334

IUPAC5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCCC1(Nc2snc(N)c2-c2cccnc2)CCC1
InChIInChI=1S/C14H18N4S/c1-2-14(6-4-7-14)17-13-11(12(15)18-19-13)10-5-3-8-16-9-10/h3,5,8-9,17H,2,4,6-7H2,1H3,(H2,15,18)
InChIKeyRKJXGXKGPJXKPZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.53
Rot. Bonds4

About 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103365334) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103365334
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCCC1(Nc2snc(N)c2-c2cccnc2)CCC1
InChIInChI=1S/C14H18N4S/c1-2-14(6-4-7-14)17-13-11(12(15)18-19-13)10-5-3-8-16-9-10/h3,5,8-9,17H,2,4,6-7H2,1H3,(H2,15,18)
InChIKeyRKJXGXKGPJXKPZ-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103365334) is 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CCC1(Nc2snc(N)c2-c2cccnc2)CCC1.
What is the InChIKey of 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is RKJXGXKGPJXKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-14(6-4-7-14)17-13-11(12(15)18-19-13)10-5-3-8-16-9-10/h3,5,8-9,17H,2,4,6-7H2,1H3,(H2,15,18).
What are the key properties of 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 274.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).