5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine

C18H16ClN5OS — CID 58259007

IUPAC5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)s1
InChIInChI=1S/C18H16ClN5OS/c1-25-17-11(3-2-4-20-17)7-23-18-24-10-14(26-18)5-12-8-21-16-15(12)6-13(19)9-22-16/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)(H,23,24)
InChIKeyZGSFORUMZQUVKB-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.28
Rot. Bonds6

About 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine (PubChem CID 58259007) has the molecular formula C18H16ClN5OS and a molecular weight of 385.88 g/mol. Its IUPAC name is 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
PubChem CID58259007
Molecular FormulaC18H16ClN5OS
Molecular Weight385.88 g/mol
Exact Mass385.08
IUPAC Name5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)s1
InChIInChI=1S/C18H16ClN5OS/c1-25-17-11(3-2-4-20-17)7-23-18-24-10-14(26-18)5-12-8-21-16-15(12)6-13(19)9-22-16/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)(H,23,24)
InChIKeyZGSFORUMZQUVKB-UHFFFAOYSA-N
XLogP4.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 89270026
4-chloro-N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 58259393
N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770482
3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259190
4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 141359886
5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442130
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 54589335
5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442139
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 79399734
3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 59593338

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine (CID 58259007) is 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine is COc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)s1.
What is the InChIKey of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZGSFORUMZQUVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5OS/c1-25-17-11(3-2-4-20-17)7-23-18-24-10-14(26-18)5-12-8-21-16-15(12)6-13(19)9-22-16/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 385.88 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58259007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).