N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

C14H18N4O2S — CID 131687042

IUPACN-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)c3csnn3)C2)C1)C1CC1
InChIInChI=1S/C14H18N4O2S/c19-12(9-1-2-9)15-10-5-14(6-10)3-4-18(8-14)13(20)11-7-21-17-16-11/h7,9-10H,1-6,8H2,(H,15,19)
InChIKeyXLQPPVHQTYBZOR-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.06
Rot. Bonds3

About N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (PubChem CID 131687042) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
PubChem CID131687042
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)c3csnn3)C2)C1)C1CC1
InChIInChI=1S/C14H18N4O2S/c19-12(9-1-2-9)15-10-5-14(6-10)3-4-18(8-14)13(20)11-7-21-17-16-11/h7,9-10H,1-6,8H2,(H,15,19)
InChIKeyXLQPPVHQTYBZOR-UHFFFAOYSA-N
XLogP1.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 131686661
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
N-[6-[2-(2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687541
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
CID 131687649
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide
CID 166434440
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 131686198

Frequently Asked Questions

What is the IUPAC name of N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (CID 131687042) is N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is O=C(NC1CC2(CCN(C(=O)c3csnn3)C2)C1)C1CC1.
What is the InChIKey of N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The InChIKey is XLQPPVHQTYBZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-12(9-1-2-9)15-10-5-14(6-10)3-4-18(8-14)13(20)11-7-21-17-16-11/h7,9-10H,1-6,8H2,(H,15,19).
What are the key properties of N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131687042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).