chloro(1,3-thiazol-5-yl)methanamine

C4H5ClN2S — CID 67926841

IUPACchloro(1,3-thiazol-5-yl)methanamine
SMILESNC(Cl)c1cncs1
InChIInChI=1S/C4H5ClN2S/c5-4(6)3-1-7-2-8-3/h1-2,4H,6H2
InChIKeyCDBIHDZACJRCOZ-UHFFFAOYSA-N
MW148.62 g/mol
LogP1.34
Rot. Bonds1

About chloro(1,3-thiazol-5-yl)methanamine

chloro(1,3-thiazol-5-yl)methanamine (PubChem CID 67926841) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is chloro(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Namechloro(1,3-thiazol-5-yl)methanamine
PubChem CID67926841
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Namechloro(1,3-thiazol-5-yl)methanamine
SMILESNC(Cl)c1cncs1
InChIInChI=1S/C4H5ClN2S/c5-4(6)3-1-7-2-8-3/h1-2,4H,6H2
InChIKeyCDBIHDZACJRCOZ-UHFFFAOYSA-N
XLogP1.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.62
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(1,3-thiazol-5-yl)methanamine?
The IUPAC name of chloro(1,3-thiazol-5-yl)methanamine (CID 67926841) is chloro(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for chloro(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for chloro(1,3-thiazol-5-yl)methanamine is NC(Cl)c1cncs1.
What is the InChIKey of chloro(1,3-thiazol-5-yl)methanamine?
The InChIKey is CDBIHDZACJRCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S/c5-4(6)3-1-7-2-8-3/h1-2,4H,6H2.
What are the key properties of chloro(1,3-thiazol-5-yl)methanamine?
chloro(1,3-thiazol-5-yl)methanamine has a molecular weight of 148.62 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 67926841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).