N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C21H21N5O2S — CID 164702728

IUPACN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1C2CNCC21
InChIInChI=1S/C21H21N5O2S/c27-19(18-12-8-22-9-13(12)18)25-21-24-15-5-6-26(10-17(15)29-21)20(28)16-7-11-3-1-2-4-14(11)23-16/h1-4,7,12-13,18,22-23H,5-6,8-10H2,(H,24,25,27)
InChIKeyWFFNYZFXBNTBFC-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.23
Rot. Bonds3

About N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 164702728) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID164702728
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1C2CNCC21
InChIInChI=1S/C21H21N5O2S/c27-19(18-12-8-22-9-13(12)18)25-21-24-15-5-6-26(10-17(15)29-21)20(28)16-7-11-3-1-2-4-14(11)23-16/h1-4,7,12-13,18,22-23H,5-6,8-10H2,(H,24,25,27)
InChIKeyWFFNYZFXBNTBFC-UHFFFAOYSA-N
XLogP2.23
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
CID 154637669
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525454
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525922
1-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylsulfonylurea
CID 154637650
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
[2-[[1-(hydroxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576232
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
[2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576190
1H-indol-2-yl-[2-[[1-(methoxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 154637663
[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576560
1H-indol-2-yl-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576423

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 164702728) is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1C2CNCC21.
What is the InChIKey of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is WFFNYZFXBNTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-19(18-12-8-22-9-13(12)18)25-21-24-15-5-6-26(10-17(15)29-21)20(28)16-7-11-3-1-2-4-14(11)23-16/h1-4,7,12-13,18,22-23H,5-6,8-10H2,(H,24,25,27).
What are the key properties of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 164702728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).