4,5,6,7-tetrahydro-1,3-thiazepin-2-amine

C5H10N2S — CID 10197867

IUPAC4,5,6,7-tetrahydro-1,3-thiazepin-2-amine
SMILESNC1=NCCCCS1
InChIInChI=1S/C5H10N2S/c6-5-7-3-1-2-4-8-5/h1-4H2,(H2,6,7)
InChIKeyDTAHRKYEBUXGFN-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.83
Rot. Bonds

About 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine

4,5,6,7-tetrahydro-1,3-thiazepin-2-amine (PubChem CID 10197867) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-thiazepin-2-amine
PubChem CID10197867
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name4,5,6,7-tetrahydro-1,3-thiazepin-2-amine
SMILESNC1=NCCCCS1
InChIInChI=1S/C5H10N2S/c6-5-7-3-1-2-4-8-5/h1-4H2,(H2,6,7)
InChIKeyDTAHRKYEBUXGFN-UHFFFAOYSA-N
XLogP0.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine
CID 1534
Tocris-0871
CID 6603722
2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine hydrochloride
CID 2733501
2-Amino-5,6-dihydro-4H-1,3-thiazine
CID 189081
2-amino-5,6-dihydro-4H-1,3-thiazine hydrobromide
CID 200835
5-Methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 544920
2-(3-Methylsulfanylpropyl)guanidine
CID 44158315
1,3-Thiazinan-2-imine hydrochloride
CID 17132942
4-{[Amino(imino)methyl]amino}butyl imidothiocarbamate dihydrobromide
CID 3063453
6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine chloride
CID 51371097
ethyl N'-ethylcarbamimidothioate
CID 426859
(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 7067727

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine (CID 10197867) is 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine is NC1=NCCCCS1.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine?
The InChIKey is DTAHRKYEBUXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c6-5-7-3-1-2-4-8-5/h1-4H2,(H2,6,7).
What are the key properties of 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine?
4,5,6,7-tetrahydro-1,3-thiazepin-2-amine has a molecular weight of 130.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-thiazepin-2-amine is sourced from PubChem (CID 10197867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).