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

C14H17ClN6S — CID 56802844

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
SMILESCCc1nc2n(n1)CC(NCc1c(Cl)nc3sccn13)CC2
InChIInChI=1S/C14H17ClN6S/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
InChIKeyDHCGFYFWJYCLCC-UHFFFAOYSA-N
MW336.85 g/mol
LogP2.31
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

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 (PubChem CID 56802844) has the molecular formula C14H17ClN6S and a molecular weight of 336.85 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.

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
PubChem CID56802844
Molecular FormulaC14H17ClN6S
Molecular Weight336.85 g/mol
Exact Mass336.09
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
SMILESCCc1nc2n(n1)CC(NCc1c(Cl)nc3sccn13)CC2
InChIInChI=1S/C14H17ClN6S/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
InChIKeyDHCGFYFWJYCLCC-UHFFFAOYSA-N
XLogP2.31
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 52.31
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 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?
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 (CID 56802844) 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.
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?
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 is CCc1nc2n(n1)CC(NCc1c(Cl)nc3sccn13)CC2.
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?
The InChIKey is DHCGFYFWJYCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6S/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.
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?
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 has a molecular weight of 336.85 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 56802844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).