N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide

C12H15N5O2S — CID 91628556

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(OC)ncn2)s1
InChIInChI=1S/C12H15N5O2S/c1-3-4-5-10-16-17-12(20-10)15-11(18)8-6-9(19-2)14-7-13-8/h6-7H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyMZGOPWJEBVQCQI-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.93
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide (PubChem CID 91628556) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide
PubChem CID91628556
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cc(OC)ncn2)s1
InChIInChI=1S/C12H15N5O2S/c1-3-4-5-10-16-17-12(20-10)15-11(18)8-6-9(19-2)14-7-13-8/h6-7H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyMZGOPWJEBVQCQI-UHFFFAOYSA-N
XLogP1.93
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide (CID 91628556) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide is CCCCc1nnc(NC(=O)c2cc(OC)ncn2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide?
The InChIKey is MZGOPWJEBVQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-4-5-10-16-17-12(20-10)15-11(18)8-6-9(19-2)14-7-13-8/h6-7H,3-5H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91628556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).