4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine

C8H14N4S2 — CID 62182739

IUPAC4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)C1CCSC1
InChIInChI=1S/C8H14N4S2/c1-12(6-2-3-13-5-6)4-7-8(9)14-11-10-7/h6H,2-5,9H2,1H3
InChIKeyLSQHHVGDFZXPGT-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.06
Rot. Bonds3

About 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine

4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine (PubChem CID 62182739) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
PubChem CID62182739
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)C1CCSC1
InChIInChI=1S/C8H14N4S2/c1-12(6-2-3-13-5-6)4-7-8(9)14-11-10-7/h6H,2-5,9H2,1H3
InChIKeyLSQHHVGDFZXPGT-UHFFFAOYSA-N
XLogP1.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 62209667
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine
CID 63711122
N-[(5-amino-2-chlorophenyl)methyl]-N-methylthiolan-3-amine
CID 43296266
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
4-[2-[methyl(thiolan-3-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482703
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine
CID 121020811
N-[(5-chloropyrazin-2-yl)methyl]-N-methylthiolan-3-amine
CID 103054068
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 97093086
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
CID 79243435
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62245370

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine (CID 62182739) is 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine is CN(Cc1nnsc1N)C1CCSC1.
What is the InChIKey of 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
The InChIKey is LSQHHVGDFZXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-12(6-2-3-13-5-6)4-7-8(9)14-11-10-7/h6H,2-5,9H2,1H3.
What are the key properties of 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine?
4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine has a molecular weight of 230.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).