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

C19H18N4O2S — CID 90525454

IUPACN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1CC1
InChIInChI=1S/C19H18N4O2S/c24-17(11-5-6-11)22-19-21-14-7-8-23(10-16(14)26-19)18(25)15-9-12-3-1-2-4-13(12)20-15/h1-4,9,11,20H,5-8,10H2,(H,21,22,24)
InChIKeyMQCOEDWYOGIUAN-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.17
Rot. Bonds3

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

N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90525454) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 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]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90525454
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1CC1
InChIInChI=1S/C19H18N4O2S/c24-17(11-5-6-11)22-19-21-14-7-8-23(10-16(14)26-19)18(25)15-9-12-3-1-2-4-13(12)20-15/h1-4,9,11,20H,5-8,10H2,(H,21,22,24)
InChIKeyMQCOEDWYOGIUAN-UHFFFAOYSA-N
XLogP3.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 164702728
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525922
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
1-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylsulfonylurea
CID 154637650
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
[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
[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
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
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
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]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (CID 90525454) is N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.
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]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2)C1CC1.
What is the InChIKey of N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MQCOEDWYOGIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-17(11-5-6-11)22-19-21-14-7-8-23(10-16(14)26-19)18(25)15-9-12-3-1-2-4-13(12)20-15/h1-4,9,11,20H,5-8,10H2,(H,21,22,24).
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]cyclopropanecarboxamide?
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]cyclopropanecarboxamide is sourced from PubChem (CID 90525454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).