N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H24N4O3S — CID 135938794

IUPACN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2c(O)nc3sccn3c2=O)C1
InChIInChI=1S/C17H24N4O3S/c1-11-8-12(2)10-20(9-11)5-3-4-18-14(22)13-15(23)19-17-21(16(13)24)6-7-25-17/h6-7,11-12,23H,3-5,8-10H2,1-2H3,(H,18,22)/t11-,12-/m1/s1
InChIKeyATXDHNJTFSETTH-VXGBXAGGSA-N
MW364.47 g/mol
LogP1.56
Rot. Bonds5

About N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135938794) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135938794
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2c(O)nc3sccn3c2=O)C1
InChIInChI=1S/C17H24N4O3S/c1-11-8-12(2)10-20(9-11)5-3-4-18-14(22)13-15(23)19-17-21(16(13)24)6-7-25-17/h6-7,11-12,23H,3-5,8-10H2,1-2H3,(H,18,22)/t11-,12-/m1/s1
InChIKeyATXDHNJTFSETTH-VXGBXAGGSA-N
XLogP1.56
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135938794) is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2c(O)nc3sccn3c2=O)C1.
What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ATXDHNJTFSETTH-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11-8-12(2)10-20(9-11)5-3-4-18-14(22)13-15(23)19-17-21(16(13)24)6-7-25-17/h6-7,11-12,23H,3-5,8-10H2,1-2H3,(H,18,22)/t11-,12-/m1/s1.
What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135938794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).