4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine

C9H11ClN6S2 — CID 80885447

IUPAC4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11ClN6S2/c1-3-4-11-7-12-6(10)13-8(14-7)18-9-16-15-5(2)17-9/h3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyUFBIBJCPNZWMHI-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.66
Rot. Bonds5

About 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80885447) has the molecular formula C9H11ClN6S2 and a molecular weight of 302.82 g/mol. Its IUPAC name is 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
PubChem CID80885447
Molecular FormulaC9H11ClN6S2
Molecular Weight302.82 g/mol
Exact Mass302.02
IUPAC Name4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11ClN6S2/c1-3-4-11-7-12-6(10)13-8(14-7)18-9-16-15-5(2)17-9/h3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyUFBIBJCPNZWMHI-UHFFFAOYSA-N
XLogP2.66
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine (CID 80885447) is 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is UFBIBJCPNZWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6S2/c1-3-4-11-7-12-6(10)13-8(14-7)18-9-16-15-5(2)17-9/h3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 302.82 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).