N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

C20H25N3O2S2 — CID 90531966

IUPACN-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCCC1)CC2)c1ccsc1
InChIInChI=1S/C20H25N3O2S2/c24-18(7-6-14-4-2-1-3-5-14)23-10-8-16-17(12-23)27-20(21-16)22-19(25)15-9-11-26-13-15/h9,11,13-14H,1-8,10,12H2,(H,21,22,25)
InChIKeyACHXANBWAHJZMB-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.70
Rot. Bonds5

About N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (PubChem CID 90531966) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
PubChem CID90531966
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCCC1)CC2)c1ccsc1
InChIInChI=1S/C20H25N3O2S2/c24-18(7-6-14-4-2-1-3-5-14)23-10-8-16-17(12-23)27-20(21-16)22-19(25)15-9-11-26-13-15/h9,11,13-14H,1-8,10,12H2,(H,21,22,25)
InChIKeyACHXANBWAHJZMB-UHFFFAOYSA-N
XLogP4.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
CID 90532340
N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 71788349
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532033
N-[5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532043
N-[5-(4-bromobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532001
N-[5-[2-(4-ethoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532040
N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90532251
N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532121
N-(2-methylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90532274
N-[5-(thiophene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525186
N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527367
N-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532209

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (CID 90531966) is N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCCC1)CC2)c1ccsc1.
What is the InChIKey of N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The InChIKey is ACHXANBWAHJZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c24-18(7-6-14-4-2-1-3-5-14)23-10-8-16-17(12-23)27-20(21-16)22-19(25)15-9-11-26-13-15/h9,11,13-14H,1-8,10,12H2,(H,21,22,25).
What are the key properties of N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 90531966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).