N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C17H18N4OS — CID 91948861

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2cnc3nsnc3c2)cc1
InChIInChI=1S/C17H18N4OS/c1-10(2)12-4-6-13(7-5-12)11(3)19-17(22)14-8-15-16(18-9-14)21-23-20-15/h4-11H,1-3H3,(H,19,22)
InChIKeyFDQZXBIJFWCVCA-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948861) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948861
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2cnc3nsnc3c2)cc1
InChIInChI=1S/C17H18N4OS/c1-10(2)12-4-6-13(7-5-12)11(3)19-17(22)14-8-15-16(18-9-14)21-23-20-15/h4-11H,1-3H3,(H,19,22)
InChIKeyFDQZXBIJFWCVCA-UHFFFAOYSA-N
XLogP3.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948875
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274164
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948861) is N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is CC(C)c1ccc(C(C)NC(=O)c2cnc3nsnc3c2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is FDQZXBIJFWCVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10(2)12-4-6-13(7-5-12)11(3)19-17(22)14-8-15-16(18-9-14)21-23-20-15/h4-11H,1-3H3,(H,19,22).
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).