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

C20H19N5O2S — CID 90527382

IUPACN-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c1
InChIInChI=1S/C20H19N5O2S/c1-12-7-13(2)9-14(8-12)19(27)25-6-3-15-17(11-25)28-20(23-15)24-18(26)16-10-21-4-5-22-16/h4-5,7-10H,3,6,11H2,1-2H3,(H,23,24,26)
InChIKeyIFTTXOKPGZHZAQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.00
Rot. Bonds3

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

N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 90527382) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
PubChem CID90527382
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c1
InChIInChI=1S/C20H19N5O2S/c1-12-7-13(2)9-14(8-12)19(27)25-6-3-15-17(11-25)28-20(23-15)24-18(26)16-10-21-4-5-22-16/h4-5,7-10H,3,6,11H2,1-2H3,(H,23,24,26)
InChIKeyIFTTXOKPGZHZAQ-UHFFFAOYSA-N
XLogP3.00
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,5-dimethylfuran-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527495
N-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527432
N-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527396
N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527541
N-propan-2-yl-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527695
N-[5-(2-iodobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527409
N-[5-(2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527476
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844
N-[5-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527485
N-[5-(2,2-diphenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527462
N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527367
N-[5-[2-(2-chlorophenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527499

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 90527382) is N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is Cc1cc(C)cc(C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c1.
What is the InChIKey of N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The InChIKey is IFTTXOKPGZHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12-7-13(2)9-14(8-12)19(27)25-6-3-15-17(11-25)28-20(23-15)24-18(26)16-10-21-4-5-22-16/h4-5,7-10H,3,6,11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 90527382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).