N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C16H21N3OS — CID 3520204

IUPACN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CC1
InChIInChI=1S/C16H21N3OS/c20-13(12-1-2-12)17-15-19-18-14(21-15)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-12H,1-8H2,(H,17,19,20)
InChIKeyVLPTUWSYYVYHOL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.35
Rot. Bonds3

About N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 3520204) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID3520204
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CC1
InChIInChI=1S/C16H21N3OS/c20-13(12-1-2-12)17-15-19-18-14(21-15)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-12H,1-8H2,(H,17,19,20)
InChIKeyVLPTUWSYYVYHOL-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 3520204) is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CC1.
What is the InChIKey of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is VLPTUWSYYVYHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-13(12-1-2-12)17-15-19-18-14(21-15)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-12H,1-8H2,(H,17,19,20).
What are the key properties of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 3520204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).