N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine

C23H25N5OS — CID 123196404

IUPACN-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine
SMILESCc1[nH]ncc1C1=CCCc2sc(Nc3cc(OC4CCCC4)ccn3)nc2C=C1
InChIInChI=1S/C23H25N5OS/c1-15-19(14-25-28-15)16-5-4-8-21-20(10-9-16)26-23(30-21)27-22-13-18(11-12-24-22)29-17-6-2-3-7-17/h5,9-14,17H,2-4,6-8H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyUPTLNAYTWXCGDU-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.68
Rot. Bonds5

About N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine

N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine (PubChem CID 123196404) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine
PubChem CID123196404
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC NameN-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine
SMILESCc1[nH]ncc1C1=CCCc2sc(Nc3cc(OC4CCCC4)ccn3)nc2C=C1
InChIInChI=1S/C23H25N5OS/c1-15-19(14-25-28-15)16-5-4-8-21-20(10-9-16)26-23(30-21)27-22-13-18(11-12-24-22)29-17-6-2-3-7-17/h5,9-14,17H,2-4,6-8H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyUPTLNAYTWXCGDU-UHFFFAOYSA-N
XLogP5.68
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-cyclopentyloxy-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944575
4-methyl-N-(4-piperidin-4-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24826060
4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
CID 113368158
4-cyclobutyloxy-2-methylpyridine
CID 70661228
N-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 90121659
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945563
N-[4-[[[(1R)-2-bicyclo[3.2.1]octanyl]amino]methyl]-2-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 134422751
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068
6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
CID 134422602
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-[4-(isoindol-2-ylmethyl)-2-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 154975971
2-methoxy-1-[3-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 90121815

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine (CID 123196404) is N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine is Cc1[nH]ncc1C1=CCCc2sc(Nc3cc(OC4CCCC4)ccn3)nc2C=C1.
What is the InChIKey of N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine?
The InChIKey is UPTLNAYTWXCGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-15-19(14-25-28-15)16-5-4-8-21-20(10-9-16)26-23(30-21)27-22-13-18(11-12-24-22)29-17-6-2-3-7-17/h5,9-14,17H,2-4,6-8H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine?
N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine has a molecular weight of 419.55 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxy-2-pyridinyl)-6-(5-methyl-1H-pyrazol-4-yl)-8,9-dihydrocycloocta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 123196404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).