3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

C22H25N3OS — CID 3531765

IUPAC3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C22H25N3OS/c1-15-9-11-17(21-25-18-8-5-13-23-22(18)27-21)14-19(15)24-20(26)12-10-16-6-3-2-4-7-16/h5,8-9,11,13-14,16H,2-4,6-7,10,12H2,1H3,(H,24,26)
InChIKeyQROOBMDNHCKZKU-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.97
Rot. Bonds5

About 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 3531765) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
PubChem CID3531765
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C22H25N3OS/c1-15-9-11-17(21-25-18-8-5-13-23-22(18)27-21)14-19(15)24-20(26)12-10-16-6-3-2-4-7-16/h5,8-9,11,13-14,16H,2-4,6-7,10,12H2,1H3,(H,24,26)
InChIKeyQROOBMDNHCKZKU-UHFFFAOYSA-N
XLogP5.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024794
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024809
3-cyclohexyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)propanamide
CID 7080200
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
CID 15944888
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024665
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
2-(3-bromophenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 40998801
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (CID 3531765) is 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is QROOBMDNHCKZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15-9-11-17(21-25-18-8-5-13-23-22(18)27-21)14-19(15)24-20(26)12-10-16-6-3-2-4-7-16/h5,8-9,11,13-14,16H,2-4,6-7,10,12H2,1H3,(H,24,26).
What are the key properties of 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 379.53 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 3531765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).