N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

C15H20N6OS — CID 56803050

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCc3cnc(C(C)C)nc3C2)s1
InChIInChI=1S/C15H20N6OS/c1-9(2)14-16-6-11-4-5-21(7-12(11)17-14)8-13(22)18-15-20-19-10(3)23-15/h6,9H,4-5,7-8H2,1-3H3,(H,18,20,22)
InChIKeyRXMLAGDGAQAKCK-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.76
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide (PubChem CID 56803050) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
PubChem CID56803050
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCc3cnc(C(C)C)nc3C2)s1
InChIInChI=1S/C15H20N6OS/c1-9(2)14-16-6-11-4-5-21(7-12(11)17-14)8-13(22)18-15-20-19-10(3)23-15/h6,9H,4-5,7-8H2,1-3H3,(H,18,20,22)
InChIKeyRXMLAGDGAQAKCK-UHFFFAOYSA-N
XLogP1.76
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide (CID 56803050) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide is Cc1nnc(NC(=O)CN2CCc3cnc(C(C)C)nc3C2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
The InChIKey is RXMLAGDGAQAKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9(2)14-16-6-11-4-5-21(7-12(11)17-14)8-13(22)18-15-20-19-10(3)23-15/h6,9H,4-5,7-8H2,1-3H3,(H,18,20,22).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 56803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).