2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

C14H16N4S — CID 66414117

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESCc1csc(CCNCc2c[nH]c3ncccc23)n1
InChIInChI=1S/C14H16N4S/c1-10-9-19-13(18-10)4-6-15-7-11-8-17-14-12(11)3-2-5-16-14/h2-3,5,8-9,15H,4,6-7H2,1H3,(H,16,17)
InChIKeyNHEWFTGCIRVIED-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (PubChem CID 66414117) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
PubChem CID66414117
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESCc1csc(CCNCc2c[nH]c3ncccc23)n1
InChIInChI=1S/C14H16N4S/c1-10-9-19-13(18-10)4-6-15-7-11-8-17-14-12(11)3-2-5-16-14/h2-3,5,8-9,15H,4,6-7H2,1H3,(H,16,17)
InChIKeyNHEWFTGCIRVIED-UHFFFAOYSA-N
XLogP2.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115697343
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789
2-(1,2,4-oxadiazol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114183344
2-(cyclopenten-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114153186
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanesulfonamide
CID 114174786
2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606838
2-(4-methylpiperazin-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414470
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415887

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (CID 66414117) is 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is Cc1csc(CCNCc2c[nH]c3ncccc23)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The InChIKey is NHEWFTGCIRVIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10-9-19-13(18-10)4-6-15-7-11-8-17-14-12(11)3-2-5-16-14/h2-3,5,8-9,15H,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine has a molecular weight of 272.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 66414117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).