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

C14H17N5O3S — CID 90530630

IUPACN-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
InChIInChI=1S/C14H17N5O3S/c1-3-15-14(21)19-5-4-9-11(7-19)23-13(16-9)17-12(20)10-6-8(2)22-18-10/h6H,3-5,7H2,1-2H3,(H,15,21)(H,16,17,20)
InChIKeyKMFQMZRAOCKGGQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.78
Rot. Bonds3

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

N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 90530630) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID90530630
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
InChIInChI=1S/C14H17N5O3S/c1-3-15-14(21)19-5-4-9-11(7-19)23-13(16-9)17-12(20)10-6-8(2)22-18-10/h6H,3-5,7H2,1-2H3,(H,15,21)(H,16,17,20)
InChIKeyKMFQMZRAOCKGGQ-UHFFFAOYSA-N
XLogP1.78
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
5-methyl-N-[5-(thiophen-2-ylmethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530617
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530373
5-methyl-N-[5-(4-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530303
5-methyl-N-(5-pent-4-enoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 90530266
N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526767
N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530358
ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530579
N-[5-(2,4-dichlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530334
N-[5-(5-bromofuran-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530395
5-methyl-N-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 71788172

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 90530630) is N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is CCNC(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KMFQMZRAOCKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-3-15-14(21)19-5-4-9-11(7-19)23-13(16-9)17-12(20)10-6-8(2)22-18-10/h6H,3-5,7H2,1-2H3,(H,15,21)(H,16,17,20).
What are the key properties of N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90530630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).