N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H23N5OS — CID 135137539

IUPACN-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](C)[C@H](c3cc4ncccc4[nH]3)C2)s1
InChIInChI=1S/C19H23N5OS/c1-12-5-7-24(10-14-9-21-19(26-14)22-13(2)25)11-15(12)17-8-18-16(23-17)4-3-6-20-18/h3-4,6,8-9,12,15,23H,5,7,10-11H2,1-2H3,(H,21,22,25)/t12-,15+/m0/s1
InChIKeyORIMICNIZOZAAS-SWLSCSKDSA-N
MW369.49 g/mol
LogP3.60
Rot. Bonds4

About N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135137539) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135137539
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](C)[C@H](c3cc4ncccc4[nH]3)C2)s1
InChIInChI=1S/C19H23N5OS/c1-12-5-7-24(10-14-9-21-19(26-14)22-13(2)25)11-15(12)17-8-18-16(23-17)4-3-6-20-18/h3-4,6,8-9,12,15,23H,5,7,10-11H2,1-2H3,(H,21,22,25)/t12-,15+/m0/s1
InChIKeyORIMICNIZOZAAS-SWLSCSKDSA-N
XLogP3.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135137539) is N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@H](C)[C@H](c3cc4ncccc4[nH]3)C2)s1.
What is the InChIKey of N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ORIMICNIZOZAAS-SWLSCSKDSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12-5-7-24(10-14-9-21-19(26-14)22-13(2)25)11-15(12)17-8-18-16(23-17)4-3-6-20-18/h3-4,6,8-9,12,15,23H,5,7,10-11H2,1-2H3,(H,21,22,25)/t12-,15+/m0/s1.
What are the key properties of N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S,4S)-4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135137539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).