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

C6H9NS2 — CID 57089888

IUPAC1-(1,3-thiazol-2-yl)propane-2-thiol
SMILESCC(S)Cc1nccs1
InChIInChI=1S/C6H9NS2/c1-5(8)4-6-7-2-3-9-6/h2-3,5,8H,4H2,1H3
InChIKeyUYZMFHLYQYLCLK-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.00
Rot. Bonds2

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

1-(1,3-thiazol-2-yl)propane-2-thiol (PubChem CID 57089888) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)propane-2-thiol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)propane-2-thiol
PubChem CID57089888
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name1-(1,3-thiazol-2-yl)propane-2-thiol
SMILESCC(S)Cc1nccs1
InChIInChI=1S/C6H9NS2/c1-5(8)4-6-7-2-3-9-6/h2-3,5,8H,4H2,1H3
InChIKeyUYZMFHLYQYLCLK-UHFFFAOYSA-N
XLogP2.00
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
N-methyl-3-methylsulfonyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105015213
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
dipropan-2-yl 2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972762
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
CID 83143079
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole
CID 58032030

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)propane-2-thiol?
The IUPAC name of 1-(1,3-thiazol-2-yl)propane-2-thiol (CID 57089888) is 1-(1,3-thiazol-2-yl)propane-2-thiol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)propane-2-thiol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)propane-2-thiol is CC(S)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)propane-2-thiol?
The InChIKey is UYZMFHLYQYLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-5(8)4-6-7-2-3-9-6/h2-3,5,8H,4H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)propane-2-thiol?
1-(1,3-thiazol-2-yl)propane-2-thiol has a molecular weight of 159.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)propane-2-thiol is sourced from PubChem (CID 57089888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).