N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine

C10H13N5S2 — CID 126813022

IUPACN-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine
SMILESc1cnc(NCCCSCc2cnns2)nc1
InChIInChI=1S/C10H13N5S2/c1-3-11-10(12-4-1)13-5-2-6-16-8-9-7-14-15-17-9/h1,3-4,7H,2,5-6,8H2,(H,11,12,13)
InChIKeyQGHYWHWFKLEFKS-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.06
Rot. Bonds7

About N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine

N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine (PubChem CID 126813022) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine
PubChem CID126813022
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine
SMILESc1cnc(NCCCSCc2cnns2)nc1
InChIInChI=1S/C10H13N5S2/c1-3-11-10(12-4-1)13-5-2-6-16-8-9-7-14-15-17-9/h1,3-4,7H,2,5-6,8H2,(H,11,12,13)
InChIKeyQGHYWHWFKLEFKS-UHFFFAOYSA-N
XLogP2.06
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine (CID 126813022) is N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine is c1cnc(NCCCSCc2cnns2)nc1.
What is the InChIKey of N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine?
The InChIKey is QGHYWHWFKLEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-3-11-10(12-4-1)13-5-2-6-16-8-9-7-14-15-17-9/h1,3-4,7H,2,5-6,8H2,(H,11,12,13).
What are the key properties of N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine?
N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiadiazol-5-ylmethylsulfanyl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 126813022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).