2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride

C17H20Cl2N4S2 — CID 162391096

IUPAC2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
SMILESC[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C1CC1.Cl
InChIInChI=1S/C17H19ClN4S2.ClH/c1-9(19)6-12-15(10-2-3-10)16-17(24-12)11(7-13(18)22-16)21-8-14-20-4-5-23-14;/h4-5,7,9-10H,2-3,6,8,19H2,1H3,(H,21,22);1H/t9-;/m0./s1
InChIKeyAXCLYOZIPPVCHX-FVGYRXGTSA-N
MW415.42 g/mol
LogP5.21
Rot. Bonds6

About 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride

2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride (PubChem CID 162391096) has the molecular formula C17H20Cl2N4S2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
PubChem CID162391096
Molecular FormulaC17H20Cl2N4S2
Molecular Weight415.42 g/mol
Exact Mass414.05
IUPAC Name2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
SMILESC[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C1CC1.Cl
InChIInChI=1S/C17H19ClN4S2.ClH/c1-9(19)6-12-15(10-2-3-10)16-17(24-12)11(7-13(18)22-16)21-8-14-20-4-5-23-14;/h4-5,7,9-10H,2-3,6,8,19H2,1H3,(H,21,22);1H/t9-;/m0./s1
InChIKeyAXCLYOZIPPVCHX-FVGYRXGTSA-N
XLogP5.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?
The IUPAC name of 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride (CID 162391096) is 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride is C[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C1CC1.Cl.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?
The InChIKey is AXCLYOZIPPVCHX-FVGYRXGTSA-N. The full InChI is InChI=1S/C17H19ClN4S2.ClH/c1-9(19)6-12-15(10-2-3-10)16-17(24-12)11(7-13(18)22-16)21-8-14-20-4-5-23-14;/h4-5,7,9-10H,2-3,6,8,19H2,1H3,(H,21,22);1H/t9-;/m0./s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?
2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride has a molecular weight of 415.42 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 162391096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).