N-chloro-4,5-dihydro-1,3-thiazol-2-amine

C3H5ClN2S — CID 126711063

IUPACN-chloro-4,5-dihydro-1,3-thiazol-2-amine
SMILESClNC1=NCCS1
InChIInChI=1S/C3H5ClN2S/c4-6-3-5-1-2-7-3/h1-2H2,(H,5,6)
InChIKeyDNMNMBDFBSXKHB-UHFFFAOYSA-N
MW136.61 g/mol
LogP0.83
Rot. Bonds

About N-chloro-4,5-dihydro-1,3-thiazol-2-amine

N-chloro-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 126711063) has the molecular formula C3H5ClN2S and a molecular weight of 136.61 g/mol. Its IUPAC name is N-chloro-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-chloro-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID126711063
Molecular FormulaC3H5ClN2S
Molecular Weight136.61 g/mol
Exact Mass135.99
IUPAC NameN-chloro-4,5-dihydro-1,3-thiazol-2-amine
SMILESClNC1=NCCS1
InChIInChI=1S/C3H5ClN2S/c4-6-3-5-1-2-7-3/h1-2H2,(H,5,6)
InChIKeyDNMNMBDFBSXKHB-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.61
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-chloro-4,5-dihydro-1,3-thiazol-2-amine (CID 126711063) is N-chloro-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-chloro-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-chloro-4,5-dihydro-1,3-thiazol-2-amine is ClNC1=NCCS1.
What is the InChIKey of N-chloro-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DNMNMBDFBSXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN2S/c4-6-3-5-1-2-7-3/h1-2H2,(H,5,6).
What are the key properties of N-chloro-4,5-dihydro-1,3-thiazol-2-amine?
N-chloro-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 136.61 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 N-chloro-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 126711063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).