N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride

C14H18Cl2N6S — CID 56802843

IUPACN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride
SMILESCCc1nc2n(n1)CC(NCc1c(Cl)nc3sccn13)CC2.Cl
InChIInChI=1S/C14H17ClN6S.ClH/c1-2-11-17-12-4-3-9(8-21(12)19-11)16-7-10-13(15)18-14-20(10)5-6-22-14;/h5-6,9,16H,2-4,7-8H2,1H3;1H
InChIKeyZMJCSUOOEGSYIV-UHFFFAOYSA-N
MW373.31 g/mol
LogP2.73
Rot. Bonds4

About N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride (PubChem CID 56802843) has the molecular formula C14H18Cl2N6S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride
PubChem CID56802843
Molecular FormulaC14H18Cl2N6S
Molecular Weight373.31 g/mol
Exact Mass372.07
IUPAC NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride
SMILESCCc1nc2n(n1)CC(NCc1c(Cl)nc3sccn13)CC2.Cl
InChIInChI=1S/C14H17ClN6S.ClH/c1-2-11-17-12-4-3-9(8-21(12)19-11)16-7-10-13(15)18-14-20(10)5-6-22-14;/h5-6,9,16H,2-4,7-8H2,1H3;1H
InChIKeyZMJCSUOOEGSYIV-UHFFFAOYSA-N
XLogP2.73
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride?
The IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride (CID 56802843) is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride.
What is the SMILES notation for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride?
The canonical SMILES for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride is CCc1nc2n(n1)CC(NCc1c(Cl)nc3sccn13)CC2.Cl.
What is the InChIKey of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride?
The InChIKey is ZMJCSUOOEGSYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6S.ClH/c1-2-11-17-12-4-3-9(8-21(12)19-11)16-7-10-13(15)18-14-20(10)5-6-22-14;/h5-6,9,16H,2-4,7-8H2,1H3;1H.
What are the key properties of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride?
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride has a molecular weight of 373.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride is sourced from PubChem (CID 56802843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).