1-(1,3-thiazol-2-ylamino)propane-1-thiol

C6H10N2S2 — CID 123498240

IUPAC1-(1,3-thiazol-2-ylamino)propane-1-thiol
SMILESCCC(S)Nc1nccs1
InChIInChI=1S/C6H10N2S2/c1-2-5(9)8-6-7-3-4-10-6/h3-5,9H,2H2,1H3,(H,7,8)
InChIKeyQSXALLDQISLHSY-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.22
Rot. Bonds3

About 1-(1,3-thiazol-2-ylamino)propane-1-thiol

1-(1,3-thiazol-2-ylamino)propane-1-thiol (PubChem CID 123498240) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylamino)propane-1-thiol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylamino)propane-1-thiol
PubChem CID123498240
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name1-(1,3-thiazol-2-ylamino)propane-1-thiol
SMILESCCC(S)Nc1nccs1
InChIInChI=1S/C6H10N2S2/c1-2-5(9)8-6-7-3-4-10-6/h3-5,9H,2H2,1H3,(H,7,8)
InChIKeyQSXALLDQISLHSY-UHFFFAOYSA-N
XLogP2.22
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
CID 597966
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
N-but-3-yn-2-yl-1,3-thiazol-2-amine
CID 114417967
N-hex-1-yn-3-yl-1,3-thiazol-2-amine
CID 106231440
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727
N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
CID 79046612
N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine
CID 112677046
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylamino)propane-1-thiol?
The IUPAC name of 1-(1,3-thiazol-2-ylamino)propane-1-thiol (CID 123498240) is 1-(1,3-thiazol-2-ylamino)propane-1-thiol.
What is the SMILES notation for 1-(1,3-thiazol-2-ylamino)propane-1-thiol?
The canonical SMILES for 1-(1,3-thiazol-2-ylamino)propane-1-thiol is CCC(S)Nc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-ylamino)propane-1-thiol?
The InChIKey is QSXALLDQISLHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-2-5(9)8-6-7-3-4-10-6/h3-5,9H,2H2,1H3,(H,7,8).
What are the key properties of 1-(1,3-thiazol-2-ylamino)propane-1-thiol?
1-(1,3-thiazol-2-ylamino)propane-1-thiol has a molecular weight of 174.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylamino)propane-1-thiol is sourced from PubChem (CID 123498240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).