N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C9H17N3S2 — CID 97058921

IUPACN-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCSC[C@H](C)N(C)c1nnc(C)s1
InChIInChI=1S/C9H17N3S2/c1-5-13-6-7(2)12(4)9-11-10-8(3)14-9/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyJCGMLLLSZNMGEF-ZETCQYMHSA-N
MW231.39 g/mol
LogP2.42
Rot. Bonds5

About N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 97058921) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID97058921
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCSC[C@H](C)N(C)c1nnc(C)s1
InChIInChI=1S/C9H17N3S2/c1-5-13-6-7(2)12(4)9-11-10-8(3)14-9/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyJCGMLLLSZNMGEF-ZETCQYMHSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 97058921) is N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is CCSC[C@H](C)N(C)c1nnc(C)s1.
What is the InChIKey of N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JCGMLLLSZNMGEF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-5-13-6-7(2)12(4)9-11-10-8(3)14-9/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 231.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethylsulfanylpropan-2-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 97058921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).