N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine

C14H15N3S2 — CID 133335762

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine
SMILESCCc1cnc(C(C)Nc2ccnc3ccsc23)s1
InChIInChI=1S/C14H15N3S2/c1-3-10-8-16-14(19-10)9(2)17-12-4-6-15-11-5-7-18-13(11)12/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyLSSHAHFFMKHOQH-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.49
Rot. Bonds4

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 133335762) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine
PubChem CID133335762
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine
SMILESCCc1cnc(C(C)Nc2ccnc3ccsc23)s1
InChIInChI=1S/C14H15N3S2/c1-3-10-8-16-14(19-10)9(2)17-12-4-6-15-11-5-7-18-13(11)12/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyLSSHAHFFMKHOQH-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine (CID 133335762) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine is CCc1cnc(C(C)Nc2ccnc3ccsc23)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is LSSHAHFFMKHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-3-10-8-16-14(19-10)9(2)17-12-4-6-15-11-5-7-18-13(11)12/h4-9H,3H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 289.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 133335762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).