N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C17H19N5O3S — CID 92724271

IUPACN-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC[C@@H]1CCCN(c2nn3c(=O)c(C(=O)NCc4ccco4)cnc3s2)C1
InChIInChI=1S/C17H19N5O3S/c1-11-4-2-6-21(10-11)17-20-22-15(24)13(9-19-16(22)26-17)14(23)18-8-12-5-3-7-25-12/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,18,23)/t11-/m1/s1
InChIKeyFMQSWHSOOSYSNK-LLVKDONJSA-N
MW373.44 g/mol
LogP1.91
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 92724271) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID92724271
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC[C@@H]1CCCN(c2nn3c(=O)c(C(=O)NCc4ccco4)cnc3s2)C1
InChIInChI=1S/C17H19N5O3S/c1-11-4-2-6-21(10-11)17-20-22-15(24)13(9-19-16(22)26-17)14(23)18-8-12-5-3-7-25-12/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,18,23)/t11-/m1/s1
InChIKeyFMQSWHSOOSYSNK-LLVKDONJSA-N
XLogP1.91
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724251
N-[(2-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724338
N-(furan-2-ylmethyl)-2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 95064303
N-[(3-bromophenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724371
2-[(3S)-3-methylpiperidin-1-yl]-5-oxo-N-(2-phenylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724296
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338035
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338047
N-[(3-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724307
N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942876
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338030
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724343
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338029

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 92724271) is N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is C[C@@H]1CCCN(c2nn3c(=O)c(C(=O)NCc4ccco4)cnc3s2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FMQSWHSOOSYSNK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-4-2-6-21(10-11)17-20-22-15(24)13(9-19-16(22)26-17)14(23)18-8-12-5-3-7-25-12/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,18,23)/t11-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 92724271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).