4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

C10H13ClN6S3 — CID 29135774

IUPAC4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCC(C)Sc1nnc(Sc2nc(Cl)nc(N(C)C)n2)s1
InChIInChI=1S/C10H13ClN6S3/c1-5(2)18-9-15-16-10(20-9)19-8-13-6(11)12-7(14-8)17(3)4/h5H,1-4H3
InChIKeyIBOQDDMHGWYHRP-UHFFFAOYSA-N
MW348.91 g/mol
LogP3.09
Rot. Bonds5

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

4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 29135774) has the molecular formula C10H13ClN6S3 and a molecular weight of 348.91 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID29135774
Molecular FormulaC10H13ClN6S3
Molecular Weight348.91 g/mol
Exact Mass348.01
IUPAC Name4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCC(C)Sc1nnc(Sc2nc(Cl)nc(N(C)C)n2)s1
InChIInChI=1S/C10H13ClN6S3/c1-5(2)18-9-15-16-10(20-9)19-8-13-6(11)12-7(14-8)17(3)4/h5H,1-4H3
InChIKeyIBOQDDMHGWYHRP-UHFFFAOYSA-N
XLogP3.09
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.91
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 29135774) is 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CC(C)Sc1nnc(Sc2nc(Cl)nc(N(C)C)n2)s1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is IBOQDDMHGWYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6S3/c1-5(2)18-9-15-16-10(20-9)19-8-13-6(11)12-7(14-8)17(3)4/h5H,1-4H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 348.91 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 29135774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).