N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

About N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 143305515) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID	143305515
Molecular Formula	C18H25N5O4S
Molecular Weight	407.50 g/mol
Exact Mass	407.16
IUPAC Name	N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILES	CC(=O)C(=O)N[C@H]1CCN(C(C)=O)C[C@H]1NC(=O)c1nc2c(s1)CN(C)CC2
InChI	InChI=1S/C18H25N5O4S/c1-10(24)16(26)19-12-5-7-23(11(2)25)8-14(12)20-17(27)18-21-13-4-6-22(3)9-15(13)28-18/h12,14H,4-9H2,1-3H3,(H,19,26)(H,20,27)/t12-,14+/m0/s1
InChIKey	WWUCHLOBPUVVNY-GXTWGEPZSA-N
XLogP	-0.44
TPSA	111.71 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 143305515) is N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(=O)C(=O)N[C@H]1CCN(C(C)=O)C[C@H]1NC(=O)c1nc2c(s1)CN(C)CC2.

What is the InChIKey of N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is WWUCHLOBPUVVNY-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-10(24)16(26)19-12-5-7-23(11(2)25)8-14(12)20-17(27)18-21-13-4-6-22(3)9-15(13)28-18/h12,14H,4-9H2,1-3H3,(H,19,26)(H,20,27)/t12-,14+/m0/s1.

What are the key properties of N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-1-acetyl-4-(2-oxopropanoylamino)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 143305515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).