N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

C13H13N3O2S — CID 45495603

IUPACN-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NC2CC2)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-10-6-2-8(3-7-10)11-12(19-16-15-11)13(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17)
InChIKeyHBFGGTCHNXPBHX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.11
Rot. Bonds4

About N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 45495603) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID45495603
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NC2CC2)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-10-6-2-8(3-7-10)11-12(19-16-15-11)13(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17)
InChIKeyHBFGGTCHNXPBHX-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (CID 45495603) is N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is HBFGGTCHNXPBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-10-6-2-8(3-7-10)11-12(19-16-15-11)13(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45495603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).