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

C8H13N3OS — CID 107648933

IUPACN-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CCCOCC2)s1
InChIInChI=1S/C8H13N3OS/c1-2-7(3-5-12-4-1)10-8-11-9-6-13-8/h6-7H,1-5H2,(H,10,11)
InChIKeyJHDYGRCOVYPIPZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.52
Rot. Bonds2

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

N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648933) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648933
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CCCOCC2)s1
InChIInChI=1S/C8H13N3OS/c1-2-7(3-5-12-4-1)10-8-11-9-6-13-8/h6-7H,1-5H2,(H,10,11)
InChIKeyJHDYGRCOVYPIPZ-UHFFFAOYSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine
CID 107648892
N-(2-chlorothiophen-3-yl)oxepan-4-amine
CID 131160084
6-chloro-N-(oxepan-4-yl)pyridazin-3-amine
CID 130698743
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 107648861
N-(2,6-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 107648553
N-(2,3,5,6-tetrafluorophenyl)oxepan-4-amine
CID 107644116
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
N-(2,6-difluorophenyl)oxepan-4-amine
CID 65077164
N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine
CID 107648510
N-(2,4,6-tribromophenyl)oxepan-4-amine
CID 65076459
2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936143
6-bromo-N-(oxepan-4-yl)pyridin-3-amine
CID 104718841

Frequently Asked Questions

What is the IUPAC name of N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine (CID 107648933) is N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine is c1nnc(NC2CCCOCC2)s1.
What is the InChIKey of N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JHDYGRCOVYPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-7(3-5-12-4-1)10-8-11-9-6-13-8/h6-7H,1-5H2,(H,10,11).
What are the key properties of N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine?
N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 199.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxepan-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).