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

C17H17N5O3S2 — CID 90530617

IUPAC5-methyl-N-[5-(thiophen-2-ylmethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCc2cccs2)CC3)no1
InChIInChI=1S/C17H17N5O3S2/c1-10-7-13(21-25-10)15(23)20-16-19-12-4-5-22(9-14(12)27-16)17(24)18-8-11-3-2-6-26-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,24)(H,19,20,23)
InChIKeyYBHWKHARBNSOIG-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.02
Rot. Bonds4

About 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

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 (PubChem CID 90530617) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-methyl-N-[5-(thiophen-2-ylmethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID90530617
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name5-methyl-N-[5-(thiophen-2-ylmethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCc2cccs2)CC3)no1
InChIInChI=1S/C17H17N5O3S2/c1-10-7-13(21-25-10)15(23)20-16-19-12-4-5-22(9-14(12)27-16)17(24)18-8-11-3-2-6-26-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,24)(H,19,20,23)
InChIKeyYBHWKHARBNSOIG-UHFFFAOYSA-N
XLogP3.02
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
2-(propan-2-ylcarbamoylamino)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788167
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-(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-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-(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-[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
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
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
N-[(4-chlorophenyl)methyl]-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527227
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCc2cccs2)CC3)no1.
What is the InChIKey of 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?
The InChIKey is YBHWKHARBNSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c1-10-7-13(21-25-10)15(23)20-16-19-12-4-5-22(9-14(12)27-16)17(24)18-8-11-3-2-6-26-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,24)(H,19,20,23).
What are the key properties of 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?
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 has a molecular weight of 403.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90530617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).