N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C16H23N5O2S — CID 20942952

IUPACN-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nn2c(=O)c(C(=O)NC3CCCCC3)cnc2s1
InChIInChI=1S/C16H23N5O2S/c1-3-20(4-2)16-19-21-14(23)12(10-17-15(21)24-16)13(22)18-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,18,22)
InChIKeyMHVKIZXQVBRWMP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.06
Rot. Bonds5

About N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942952) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942952
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nn2c(=O)c(C(=O)NC3CCCCC3)cnc2s1
InChIInChI=1S/C16H23N5O2S/c1-3-20(4-2)16-19-21-14(23)12(10-17-15(21)24-16)13(22)18-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,18,22)
InChIKeyMHVKIZXQVBRWMP-UHFFFAOYSA-N
XLogP2.06
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-12-oxo-7-thia-1,9-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-11-carboxamide
CID 53029271
2-(diethylamino)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20942936
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384967
N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4224151
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
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-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338047
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338030

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942952) is N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)c1nn2c(=O)c(C(=O)NC3CCCCC3)cnc2s1.
What is the InChIKey of N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MHVKIZXQVBRWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-20(4-2)16-19-21-14(23)12(10-17-15(21)24-16)13(22)18-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,18,22).
What are the key properties of N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).