N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

C14H17N3O2S — CID 45491431

IUPACN-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1snnc1-c1ccc(OC)cc1
InChIInChI=1S/C14H17N3O2S/c1-4-9(2)15-14(18)13-12(16-17-20-13)10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyNLYLFCAKYBDGSB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.74
Rot. Bonds5

About N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 45491431) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID45491431
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1snnc1-c1ccc(OC)cc1
InChIInChI=1S/C14H17N3O2S/c1-4-9(2)15-14(18)13-12(16-17-20-13)10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyNLYLFCAKYBDGSB-UHFFFAOYSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (CID 45491431) is N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is CCC(C)NC(=O)c1snnc1-c1ccc(OC)cc1.
What is the InChIKey of N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is NLYLFCAKYBDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-9(2)15-14(18)13-12(16-17-20-13)10-5-7-11(19-3)8-6-10/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45491431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).