cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone

C12H18N4OS — CID 43747914

IUPACcyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C12H18N4OS/c17-12(9-1-2-9)16-5-3-10(4-6-16)13-7-11-8-18-15-14-11/h8-10,13H,1-7H2
InChIKeyZGYJVQSATGYDNT-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.03
Rot. Bonds4

About cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 43747914) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone
PubChem CID43747914
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Namecyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2csnn2)CC1
InChIInChI=1S/C12H18N4OS/c17-12(9-1-2-9)16-5-3-10(4-6-16)13-7-11-8-18-15-14-11/h8-10,13H,1-7H2
InChIKeyZGYJVQSATGYDNT-UHFFFAOYSA-N
XLogP1.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone (CID 43747914) is cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCc2csnn2)CC1.
What is the InChIKey of cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is ZGYJVQSATGYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-12(9-1-2-9)16-5-3-10(4-6-16)13-7-11-8-18-15-14-11/h8-10,13H,1-7H2.
What are the key properties of cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 266.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(thiadiazol-4-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 43747914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).