7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide

C18H29N5O3S — CID 167854061

IUPAC7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
SMILESCCCCc1nnc(NC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)s1
InChIInChI=1S/C18H29N5O3S/c1-3-4-5-15-20-21-16(27-15)19-17(25)22-9-6-18(7-12-26-13-8-18)23(11-10-22)14(2)24/h3-13H2,1-2H3,(H,19,21,25)
InChIKeyAVAZLUDQAPLNOM-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.52
Rot. Bonds4

About 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide

7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide (PubChem CID 167854061) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
PubChem CID167854061
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
SMILESCCCCc1nnc(NC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)s1
InChIInChI=1S/C18H29N5O3S/c1-3-4-5-15-20-21-16(27-15)19-17(25)22-9-6-18(7-12-26-13-8-18)23(11-10-22)14(2)24/h3-13H2,1-2H3,(H,19,21,25)
InChIKeyAVAZLUDQAPLNOM-UHFFFAOYSA-N
XLogP2.52
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 30881963
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
7-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
CID 138012782
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 119035617
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 136533757
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide?
The IUPAC name of 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide (CID 167854061) is 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide.
What is the SMILES notation for 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide?
The canonical SMILES for 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide is CCCCc1nnc(NC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)s1.
What is the InChIKey of 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide?
The InChIKey is AVAZLUDQAPLNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-3-4-5-15-20-21-16(27-15)19-17(25)22-9-6-18(7-12-26-13-8-18)23(11-10-22)14(2)24/h3-13H2,1-2H3,(H,19,21,25).
What are the key properties of 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide?
7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide is sourced from PubChem (CID 167854061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).