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

C15H17Cl2N5O2S — CID 78875092

IUPAC3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
SMILESCCCc1nnc(NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H17Cl2N5O2S/c1-2-3-12-21-22-15(25-12)20-14(24)19-7-6-18-13(23)9-4-5-10(16)11(17)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,18,23)(H2,19,20,22,24)
InChIKeyGPGQWBFYJUQCCZ-UHFFFAOYSA-N
MW402.31 g/mol
LogP3.35
Rot. Bonds7

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

3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide (PubChem CID 78875092) has the molecular formula C15H17Cl2N5O2S and a molecular weight of 402.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
PubChem CID78875092
Molecular FormulaC15H17Cl2N5O2S
Molecular Weight402.31 g/mol
Exact Mass401.05
IUPAC Name3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
SMILESCCCc1nnc(NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H17Cl2N5O2S/c1-2-3-12-21-22-15(25-12)20-14(24)19-7-6-18-13(23)9-4-5-10(16)11(17)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,18,23)(H2,19,20,22,24)
InChIKeyGPGQWBFYJUQCCZ-UHFFFAOYSA-N
XLogP3.35
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]-3,4-dichlorobenzamide
CID 86987400
N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,4-dichlorobenzamide
CID 17193233
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
CID 92659568
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
1-[(6-chloro-3-pyridinyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 87009229
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 22830189
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
4,5-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 78840630

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide (CID 78875092) is 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide is CCCc1nnc(NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide?
The InChIKey is GPGQWBFYJUQCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2S/c1-2-3-12-21-22-15(25-12)20-14(24)19-7-6-18-13(23)9-4-5-10(16)11(17)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,18,23)(H2,19,20,22,24).
What are the key properties of 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide?
3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide has a molecular weight of 402.31 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 78875092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).