N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C19H24N8OS — CID 121169077

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)s1
InChIInChI=1S/C19H24N8OS/c1-4-5-6-17-23-24-19(29-17)22-18(28)14-9-26(10-14)15-8-16(21-11-20-15)27-13(3)7-12(2)25-27/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,22,24,28)
InChIKeyOODKHHMDKSUBFK-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.55
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121169077) has the molecular formula C19H24N8OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID121169077
Molecular FormulaC19H24N8OS
Molecular Weight412.52 g/mol
Exact Mass412.18
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)s1
InChIInChI=1S/C19H24N8OS/c1-4-5-6-17-23-24-19(29-17)22-18(28)14-9-26(10-14)15-8-16(21-11-20-15)27-13(3)7-12(2)25-27/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,22,24,28)
InChIKeyOODKHHMDKSUBFK-UHFFFAOYSA-N
XLogP2.55
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121169108
ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 119101033
N-(4-carbamoylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168928
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 121168871
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)azetidine-3-carboxamide
CID 121169118
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-fluorophenyl)azetidine-3-carboxamide
CID 121168907
N-(2,5-dichlorophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168983
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methyl-6-nitrophenyl)azetidine-3-carboxamide
CID 121169009
ethyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 121169098
N-(2-benzamidoethyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121169141
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121169077) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is CCCCc1nnc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is OODKHHMDKSUBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8OS/c1-4-5-6-17-23-24-19(29-17)22-18(28)14-9-26(10-14)15-8-16(21-11-20-15)27-13(3)7-12(2)25-27/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,22,24,28).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121169077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).