4,5-dihydro-1,3-thiazol-2-amine;hydrochloride

C3H7ClN2S — CID 520926

IUPAC4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
SMILESCl.NC1=NCCS1
InChIInChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
InChIKeyCODJLHDDIDUKMD-UHFFFAOYSA-N
MW138.62 g/mol
LogP0.47
Rot. Bonds

About 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride

4,5-dihydro-1,3-thiazol-2-amine;hydrochloride (PubChem CID 520926) has the molecular formula C3H7ClN2S and a molecular weight of 138.62 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
PubChem CID520926
Molecular FormulaC3H7ClN2S
Molecular Weight138.62 g/mol
Exact Mass138.00
IUPAC Name4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
SMILESCl.NC1=NCCS1
InChIInChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
InChIKeyCODJLHDDIDUKMD-UHFFFAOYSA-N
XLogP0.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.62
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-2-thiazolamine
CID 15689
2-Thiazolidinylidenecyanamide
CID 3700797
2-Iminothiazolidine hydrobromide
CID 197916
5-Methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 544920
4,5-Dihydro-1,3-thiazol-3-ium-2-amine chloride
CID 135504747
Hydroxyiminothiazolidine
CID 20532358
Diaminothiazoline
CID 53892820
5-Fluoro-4,5-dihydro-1,3-thiazol-2-amine
CID 147210442
N-phosphanyl-4,5-dihydro-1,3-thiazol-2-amine
CID 90783216
N-thiophosphoroso-4,5-dihydro-1,3-thiazol-2-amine
CID 123614366
(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 7067727
(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 7601792

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride (CID 520926) is 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride is Cl.NC1=NCCS1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CODJLHDDIDUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H.
What are the key properties of 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
4,5-dihydro-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 138.62 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 520926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).