(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate

C17H17ClN6O5S2 — CID 91243205

IUPAC(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCN1CCC2=C(C1)SC(OC(=O)c1nc(CNC(=O)c3ccc(Cl)s3)no1)N2C(N)=O
InChIInChI=1S/C17H17ClN6O5S2/c1-23-5-4-8-10(7-23)31-17(24(8)16(19)27)28-15(26)14-21-12(22-29-14)6-20-13(25)9-2-3-11(18)30-9/h2-3,17H,4-7H2,1H3,(H2,19,27)(H,20,25)
InChIKeyZIBOONGJCSJKEN-UHFFFAOYSA-N
MW484.95 g/mol
LogP1.83
Rot. Bonds5

About (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate

(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 91243205) has the molecular formula C17H17ClN6O5S2 and a molecular weight of 484.95 g/mol. Its IUPAC name is (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID91243205
Molecular FormulaC17H17ClN6O5S2
Molecular Weight484.95 g/mol
Exact Mass484.04
IUPAC Name(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCN1CCC2=C(C1)SC(OC(=O)c1nc(CNC(=O)c3ccc(Cl)s3)no1)N2C(N)=O
InChIInChI=1S/C17H17ClN6O5S2/c1-23-5-4-8-10(7-23)31-17(24(8)16(19)27)28-15(26)14-21-12(22-29-14)6-20-13(25)9-2-3-11(18)30-9/h2-3,17H,4-7H2,1H3,(H2,19,27)(H,20,25)
InChIKeyZIBOONGJCSJKEN-UHFFFAOYSA-N
XLogP1.83
TPSA143.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25050431
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
N-[2-carbamoyl-6-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 57393196
5-chloro-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254573
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051118
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(4-methylpiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051119
5-chloro-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxohexan-3-yl]thiophene-2-carboxamide
CID 158525759
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate (CID 91243205) is (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate is CN1CCC2=C(C1)SC(OC(=O)c1nc(CNC(=O)c3ccc(Cl)s3)no1)N2C(N)=O.
What is the InChIKey of (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is ZIBOONGJCSJKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O5S2/c1-23-5-4-8-10(7-23)31-17(24(8)16(19)27)28-15(26)14-21-12(22-29-14)6-20-13(25)9-2-3-11(18)30-9/h2-3,17H,4-7H2,1H3,(H2,19,27)(H,20,25).
What are the key properties of (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate?
(1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 484.95 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-5-methyl-2,4,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl) 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 91243205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).