2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C12H19N3OS — CID 135213413

IUPAC2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2nc(C(C)(C)C)sc2C1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)10-14-8-5-6-15(11(16)13-4)7-9(8)17-10/h5-7H2,1-4H3,(H,13,16)
InChIKeyXMFIKXCCKOYRCY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.14
Rot. Bonds

About 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 135213413) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID135213413
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2nc(C(C)(C)C)sc2C1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)10-14-8-5-6-15(11(16)13-4)7-9(8)17-10/h5-7H2,1-4H3,(H,13,16)
InChIKeyXMFIKXCCKOYRCY-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butylphosphanylcarbonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methylurea
CID 88932094
methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
1-[5-(aminocarbamothioyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 154659697
5-O-tert-butyl 2-O-methyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
CID 68644038
tert-butyl 2-(propan-2-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62956988
2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 158485888
2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 68643969
1-[2-(benzylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 130556955
2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 3062336
6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxylic acid
CID 53302298
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-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 126818877

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 135213413) is 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CNC(=O)N1CCc2nc(C(C)(C)C)sc2C1.
What is the InChIKey of 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is XMFIKXCCKOYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,3)10-14-8-5-6-15(11(16)13-4)7-9(8)17-10/h5-7H2,1-4H3,(H,13,16).
What are the key properties of 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 135213413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).