4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride

C10H9ClN4S — CID 146049239

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C10H8N4S.ClH/c11-10-14-8(5-15-10)7-4-13-9-6(7)2-1-3-12-9;/h1-5H,(H2,11,14)(H,12,13);1H
InChIKeyCLUAAIHUHNDOFX-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.69
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 146049239) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID146049239
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C10H8N4S.ClH/c11-10-14-8(5-15-10)7-4-13-9-6(7)2-1-3-12-9;/h1-5H,(H2,11,14)(H,12,13);1H
InChIKeyCLUAAIHUHNDOFX-UHFFFAOYSA-N
XLogP2.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (CID 146049239) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(-c2c[nH]c3ncccc23)cs1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CLUAAIHUHNDOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S.ClH/c11-10-14-8(5-15-10)7-4-13-9-6(7)2-1-3-12-9;/h1-5H,(H2,11,14)(H,12,13);1H.
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 252.73 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 146049239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).