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

C7H11NS2 — CID 59948549

IUPAC(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
SMILESC[C@@H](CS)Cc1nccs1
InChIInChI=1S/C7H11NS2/c1-6(5-9)4-7-8-2-3-10-7/h2-3,6,9H,4-5H2,1H3/t6-/m1/s1
InChIKeyQDWAWDDMQRZESC-ZCFIWIBFSA-N
MW173.31 g/mol
LogP2.25
Rot. Bonds3

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

(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol (PubChem CID 59948549) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol.

Molecular Properties

Compound Name(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
PubChem CID59948549
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
SMILESC[C@@H](CS)Cc1nccs1
InChIInChI=1S/C7H11NS2/c1-6(5-9)4-7-8-2-3-10-7/h2-3,6,9H,4-5H2,1H3/t6-/m1/s1
InChIKeyQDWAWDDMQRZESC-ZCFIWIBFSA-N
XLogP2.25
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 52.25
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

1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
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-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899410
[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-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 105115330
dipropan-2-yl 2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972762
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol?
The IUPAC name of (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol (CID 59948549) is (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol.
What is the SMILES notation for (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol?
The canonical SMILES for (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol is C[C@@H](CS)Cc1nccs1.
What is the InChIKey of (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol?
The InChIKey is QDWAWDDMQRZESC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NS2/c1-6(5-9)4-7-8-2-3-10-7/h2-3,6,9H,4-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol?
(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol has a molecular weight of 173.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol is sourced from PubChem (CID 59948549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).