6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine

C14H20N6S — CID 65275761

IUPAC6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
SMILESCCCc1nsc(N2CCN(c3ccc(N)cn3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-2-3-12-17-14(21-18-12)20-8-6-19(7-9-20)13-5-4-11(15)10-16-13/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyXUMSPFDCHWJBTP-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.79
Rot. Bonds4

About 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine

6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine (PubChem CID 65275761) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
PubChem CID65275761
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
SMILESCCCc1nsc(N2CCN(c3ccc(N)cn3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-2-3-12-17-14(21-18-12)20-8-6-19(7-9-20)13-5-4-11(15)10-16-13/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyXUMSPFDCHWJBTP-UHFFFAOYSA-N
XLogP1.79
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 81114967
2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
CID 65272260
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274711
5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine
CID 65275971
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
CID 65272500
1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrazol-3-amine
CID 65275062
6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 60870402
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
CID 65271947
2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 64662975
4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
CID 79159197
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
[6-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133334838

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine (CID 65275761) is 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine is CCCc1nsc(N2CCN(c3ccc(N)cn3)CC2)n1.
What is the InChIKey of 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is XUMSPFDCHWJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-3-12-17-14(21-18-12)20-8-6-19(7-9-20)13-5-4-11(15)10-16-13/h4-5,10H,2-3,6-9,15H2,1H3.
What are the key properties of 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 304.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 65275761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).