N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine

C7H11N3S2 — CID 107648510

IUPACN-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CC(Nc2nncs2)CS1
InChIInChI=1S/C7H11N3S2/c1-5-2-6(3-11-5)9-7-10-8-4-12-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyWHQGNNSEJLTIOR-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.84
Rot. Bonds2

About N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine

N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648510) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648510
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC NameN-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CC(Nc2nncs2)CS1
InChIInChI=1S/C7H11N3S2/c1-5-2-6(3-11-5)9-7-10-8-4-12-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyWHQGNNSEJLTIOR-UHFFFAOYSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine
CID 130913730
2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950932
N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine
CID 107648654
N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 107648553
N-(2,3-dimethylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 64922824
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375
N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine
CID 107648892
3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine
CID 127017123
N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648933
tert-butyl N-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]carbamate
CID 107648652
6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406
1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one
CID 79950791

Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine (CID 107648510) is N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine is CC1CC(Nc2nncs2)CS1.
What is the InChIKey of N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WHQGNNSEJLTIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-5-2-6(3-11-5)9-7-10-8-4-12-7/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine?
N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 201.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).