N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide

C18H17N7O2S2 — CID 2421968

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H17N7O2S2/c26-13(20-17-24-22-14(28-17)9-5-6-9)11-3-1-2-4-12(11)19-16(27)21-18-25-23-15(29-18)10-7-8-10/h1-4,9-10H,5-8H2,(H,20,24,26)(H2,19,21,25,27)
InChIKeyBLPJQIBMAPCISZ-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.04
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide (PubChem CID 2421968) has the molecular formula C18H17N7O2S2 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide
PubChem CID2421968
Molecular FormulaC18H17N7O2S2
Molecular Weight427.52 g/mol
Exact Mass427.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H17N7O2S2/c26-13(20-17-24-22-14(28-17)9-5-6-9)11-3-1-2-4-12(11)19-16(27)21-18-25-23-15(29-18)10-7-8-10/h1-4,9-10H,5-8H2,(H,20,24,26)(H2,19,21,25,27)
InChIKeyBLPJQIBMAPCISZ-UHFFFAOYSA-N
XLogP4.04
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide (CID 2421968) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide is O=C(Nc1nnc(C2CC2)s1)Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide?
The InChIKey is BLPJQIBMAPCISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S2/c26-13(20-17-24-22-14(28-17)9-5-6-9)11-3-1-2-4-12(11)19-16(27)21-18-25-23-15(29-18)10-7-8-10/h1-4,9-10H,5-8H2,(H,20,24,26)(H2,19,21,25,27).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide has a molecular weight of 427.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzamide is sourced from PubChem (CID 2421968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).