4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole

C17H20N4S — CID 167591577

IUPAC4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
SMILESCC[C@H]1CCCN(c2ccnc3[nH]cc(-c4cnsc4)c23)C1
InChIInChI=1S/C17H20N4S/c1-2-12-4-3-7-21(10-12)15-5-6-18-17-16(15)14(9-19-17)13-8-20-22-11-13/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyRSHBCKUQNREVAU-LBPRGKRZSA-N
MW312.44 g/mol
LogP4.31
Rot. Bonds3

About 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole

4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole (PubChem CID 167591577) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole.

Molecular Properties

Compound Name4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
PubChem CID167591577
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
SMILESCC[C@H]1CCCN(c2ccnc3[nH]cc(-c4cnsc4)c23)C1
InChIInChI=1S/C17H20N4S/c1-2-12-4-3-7-21(10-12)15-5-6-18-17-16(15)14(9-19-17)13-8-20-22-11-13/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyRSHBCKUQNREVAU-LBPRGKRZSA-N
XLogP4.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole with MolForge

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Related Compounds

4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167612656
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167687788
(3R)-N-ethyl-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 165156760
N-methyl-N'-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]ethane-1,2-diamine
CID 165156646
6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
CID 165156679
2-methoxyethyl(trimethyl)silane;methyl-N-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
CID 167660714
2-methoxyethyl(trimethyl)silane;methyl-N-[(3R)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid
CID 167660713
N-cyclopropyl-methyl-N-[(3S)-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]boronamidic acid;2-methoxyethyl(trimethyl)silane
CID 167623839
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395795
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The IUPAC name of 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole (CID 167591577) is 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole.
What is the SMILES notation for 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The canonical SMILES for 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole is CC[C@H]1CCCN(c2ccnc3[nH]cc(-c4cnsc4)c23)C1.
What is the InChIKey of 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The InChIKey is RSHBCKUQNREVAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4S/c1-2-12-4-3-7-21(10-12)15-5-6-18-17-16(15)14(9-19-17)13-8-20-22-11-13/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole has a molecular weight of 312.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole is sourced from PubChem (CID 167591577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).