2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide

C17H26N4O2S2 — CID 51339511

IUPAC2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide
SMILESCC(=O)N(c1nnc(SC(C)C(=O)N(C)C2CCCCC2)s1)C1CC1
InChIInChI=1S/C17H26N4O2S2/c1-11(15(23)20(3)13-7-5-4-6-8-13)24-17-19-18-16(25-17)21(12(2)22)14-9-10-14/h11,13-14H,4-10H2,1-3H3
InChIKeyMQSGBLDBZMUZEE-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.33
Rot. Bonds6

About 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide

2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 51339511) has the molecular formula C17H26N4O2S2 and a molecular weight of 382.56 g/mol. Its IUPAC name is 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide
PubChem CID51339511
Molecular FormulaC17H26N4O2S2
Molecular Weight382.56 g/mol
Exact Mass382.15
IUPAC Name2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide
SMILESCC(=O)N(c1nnc(SC(C)C(=O)N(C)C2CCCCC2)s1)C1CC1
InChIInChI=1S/C17H26N4O2S2/c1-11(15(23)20(3)13-7-5-4-6-8-13)24-17-19-18-16(25-17)21(12(2)22)14-9-10-14/h11,13-14H,4-10H2,1-3H3
InChIKeyMQSGBLDBZMUZEE-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide (CID 51339511) is 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide is CC(=O)N(c1nnc(SC(C)C(=O)N(C)C2CCCCC2)s1)C1CC1.
What is the InChIKey of 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is MQSGBLDBZMUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S2/c1-11(15(23)20(3)13-7-5-4-6-8-13)24-17-19-18-16(25-17)21(12(2)22)14-9-10-14/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide?
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 382.56 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 51339511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).