4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C11H9ClN4S — CID 56911687

IUPAC4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESClc1cc(NCc2nccs2)nc2[nH]ccc12
InChIInChI=1S/C11H9ClN4S/c12-8-5-9(15-6-10-13-3-4-17-10)16-11-7(8)1-2-14-11/h1-5H,6H2,(H2,14,15,16)
InChIKeyFIEJGUXVWLVQPA-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.28
Rot. Bonds3

About 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56911687) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56911687
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESClc1cc(NCc2nccs2)nc2[nH]ccc12
InChIInChI=1S/C11H9ClN4S/c12-8-5-9(15-6-10-13-3-4-17-10)16-11-7(8)1-2-14-11/h1-5H,6H2,(H2,14,15,16)
InChIKeyFIEJGUXVWLVQPA-UHFFFAOYSA-N
XLogP3.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
CID 63655581
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56913487
2-cyclopropyl-6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80964171
6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 146105270
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 70728609
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974677
4-chloro-N-[3-[(3S)-oxolan-3-yl]propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95712281

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56911687) is 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Clc1cc(NCc2nccs2)nc2[nH]ccc12.
What is the InChIKey of 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is FIEJGUXVWLVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-8-5-9(15-6-10-13-3-4-17-10)16-11-7(8)1-2-14-11/h1-5H,6H2,(H2,14,15,16).
What are the key properties of 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 264.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56911687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).