N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide

C13H17N5OS — CID 146126277

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nnc(C(C)(C)C)s2)c(C)n1
InChIInChI=1S/C13H17N5OS/c1-7-9(6-14-8(2)15-7)10(19)16-12-18-17-11(20-12)13(3,4)5/h6H,1-5H3,(H,16,18,19)
InChIKeyPHBYJVWRXYKXAK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.49
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 146126277) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID146126277
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nnc(C(C)(C)C)s2)c(C)n1
InChIInChI=1S/C13H17N5OS/c1-7-9(6-14-8(2)15-7)10(19)16-12-18-17-11(20-12)13(3,4)5/h6H,1-5H3,(H,16,18,19)
InChIKeyPHBYJVWRXYKXAK-UHFFFAOYSA-N
XLogP2.49
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide (CID 146126277) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2nnc(C(C)(C)C)s2)c(C)n1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is PHBYJVWRXYKXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-7-9(6-14-8(2)15-7)10(19)16-12-18-17-11(20-12)13(3,4)5/h6H,1-5H3,(H,16,18,19).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 146126277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).