N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65271137

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCC1CCCCN1CCCNc1ncns1
InChIInChI=1S/C11H20N4S/c1-10-5-2-3-7-15(10)8-4-6-12-11-13-9-14-16-11/h9-10H,2-8H2,1H3,(H,12,13,14)
InChIKeyCPEIPPXLXKKTTF-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.21
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271137) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271137
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCC1CCCCN1CCCNc1ncns1
InChIInChI=1S/C11H20N4S/c1-10-5-2-3-7-15(10)8-4-6-12-11-13-9-14-16-11/h9-10H,2-8H2,1H3,(H,12,13,14)
InChIKeyCPEIPPXLXKKTTF-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazol-2-amine
CID 62962810
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
3-[2-[3-(2-methylpiperidin-1-yl)propylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103485952
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 55248695
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine (CID 65271137) is N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine is CC1CCCCN1CCCNc1ncns1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CPEIPPXLXKKTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-10-5-2-3-7-15(10)8-4-6-12-11-13-9-14-16-11/h9-10H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).