(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide

C12H16N4OS — CID 97493289

IUPAC(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@]12CCN(c1nncs1)C2
InChIInChI=1S/C12H16N4OS/c17-10(14-8-1-2-8)9-5-12(9)3-4-16(6-12)11-15-13-7-18-11/h7-9H,1-6H2,(H,14,17)/t9-,12+/m1/s1
InChIKeyVYHKYTAKVQCLFH-SKDRFNHKSA-N
MW264.35 g/mol
LogP1.03
Rot. Bonds3

About (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97493289) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97493289
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@]12CCN(c1nncs1)C2
InChIInChI=1S/C12H16N4OS/c17-10(14-8-1-2-8)9-5-12(9)3-4-16(6-12)11-15-13-7-18-11/h7-9H,1-6H2,(H,14,17)/t9-,12+/m1/s1
InChIKeyVYHKYTAKVQCLFH-SKDRFNHKSA-N
XLogP1.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-cyclobutyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778397
N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827951
pyrrolidin-1-yl-[5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptan-2-yl]methanone
CID 131654574
morpholin-4-yl-[(2S)-6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 97493487
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97484299
(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97396826
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493284
(2R,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493286
morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155840662
(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97415499
N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683126

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97493289) is (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC1CC1)[C@H]1C[C@]12CCN(c1nncs1)C2.
What is the InChIKey of (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is VYHKYTAKVQCLFH-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-10(14-8-1-2-8)9-5-12(9)3-4-16(6-12)11-15-13-7-18-11/h7-9H,1-6H2,(H,14,17)/t9-,12+/m1/s1.
What are the key properties of (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97493289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).