(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C12H20N4OS — CID 113284369

IUPAC(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(N)CC1C
InChIInChI=1S/C12H20N4OS/c1-3-4-10-11(18-15-14-10)12(17)16-6-5-9(13)7-8(16)2/h8-9H,3-7,13H2,1-2H3
InChIKeyKILPFDIDKHIYCI-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.44
Rot. Bonds3

About (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 113284369) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID113284369
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(N)CC1C
InChIInChI=1S/C12H20N4OS/c1-3-4-10-11(18-15-14-10)12(17)16-6-5-9(13)7-8(16)2/h8-9H,3-7,13H2,1-2H3
InChIKeyKILPFDIDKHIYCI-UHFFFAOYSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 113284369) is (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(N)CC1C.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is KILPFDIDKHIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-4-10-11(18-15-14-10)12(17)16-6-5-9(13)7-8(16)2/h8-9H,3-7,13H2,1-2H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 268.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 113284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).