2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide

C24H32N4O4S2 — CID 87133948

IUPAC2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
SMILESCN1CCc2sc(NC(=O)C(OC3CCCC3)c3ccc(S(=O)(=O)C4CCCC4)cn3)nc2C1
InChIInChI=1S/C24H32N4O4S2/c1-28-13-12-21-20(15-28)26-24(33-21)27-23(29)22(32-16-6-2-3-7-16)19-11-10-18(14-25-19)34(30,31)17-8-4-5-9-17/h10-11,14,16-17,22H,2-9,12-13,15H2,1H3,(H,26,27,29)
InChIKeyPTMKDRIMPPDOGJ-UHFFFAOYSA-N
MW504.68 g/mol
LogP3.88
Rot. Bonds7

About 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide

2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide (PubChem CID 87133948) has the molecular formula C24H32N4O4S2 and a molecular weight of 504.68 g/mol. Its IUPAC name is 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
PubChem CID87133948
Molecular FormulaC24H32N4O4S2
Molecular Weight504.68 g/mol
Exact Mass504.19
IUPAC Name2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
SMILESCN1CCc2sc(NC(=O)C(OC3CCCC3)c3ccc(S(=O)(=O)C4CCCC4)cn3)nc2C1
InChIInChI=1S/C24H32N4O4S2/c1-28-13-12-21-20(15-28)26-24(33-21)27-23(29)22(32-16-6-2-3-7-16)19-11-10-18(14-25-19)34(30,31)17-8-4-5-9-17/h10-11,14,16-17,22H,2-9,12-13,15H2,1H3,(H,26,27,29)
InChIKeyPTMKDRIMPPDOGJ-UHFFFAOYSA-N
XLogP3.88
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
CID 56846970
2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 87134481
2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 56846968
2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 87134383
2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
CID 56847533
2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 56847030
N-cyclopentyl-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108506003
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-3-carboxamide
CID 170421226
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-6,7-dihydro-5H-1,3-benzothiazole-4,4-dicarboxylic acid
CID 88861797
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 16923760
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridine-6,7-dicarboxylic acid
CID 88861778
2-[[2-[[2-(4-cyclopentylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]-6-methoxycarbonylbenzoic acid
CID 88861785

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide (CID 87133948) is 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide is CN1CCc2sc(NC(=O)C(OC3CCCC3)c3ccc(S(=O)(=O)C4CCCC4)cn3)nc2C1.
What is the InChIKey of 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide?
The InChIKey is PTMKDRIMPPDOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S2/c1-28-13-12-21-20(15-28)26-24(33-21)27-23(29)22(32-16-6-2-3-7-16)19-11-10-18(14-25-19)34(30,31)17-8-4-5-9-17/h10-11,14,16-17,22H,2-9,12-13,15H2,1H3,(H,26,27,29).
What are the key properties of 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide?
2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide has a molecular weight of 504.68 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 87133948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).