5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol

C17H22ClN3O2S — CID 171660962

IUPAC5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol
SMILESNc1cc(-c2cc3c(s2)CCNC3)c(Cl)cn1.OC1CCCOC1
InChIInChI=1S/C12H12ClN3S.C5H10O2/c13-9-6-16-12(14)4-8(9)11-3-7-5-15-2-1-10(7)17-11;6-5-2-1-3-7-4-5/h3-4,6,15H,1-2,5H2,(H2,14,16);5-6H,1-4H2
InChIKeyLTNLKEMHBHNQDZ-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.85
Rot. Bonds1

About 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol

5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol (PubChem CID 171660962) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol
PubChem CID171660962
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol
SMILESNc1cc(-c2cc3c(s2)CCNC3)c(Cl)cn1.OC1CCCOC1
InChIInChI=1S/C12H12ClN3S.C5H10O2/c13-9-6-16-12(14)4-8(9)11-3-7-5-15-2-1-10(7)17-11;6-5-2-1-3-7-4-5/h3-4,6,15H,1-2,5H2,(H2,14,16);5-6H,1-4H2
InChIKeyLTNLKEMHBHNQDZ-UHFFFAOYSA-N
XLogP2.85
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol (CID 171660962) is 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol is Nc1cc(-c2cc3c(s2)CCNC3)c(Cl)cn1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol?
The InChIKey is LTNLKEMHBHNQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S.C5H10O2/c13-9-6-16-12(14)4-8(9)11-3-7-5-15-2-1-10(7)17-11;6-5-2-1-3-7-4-5/h3-4,6,15H,1-2,5H2,(H2,14,16);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol?
5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol has a molecular weight of 367.90 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)pyridin-2-amine;oxan-3-ol is sourced from PubChem (CID 171660962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).