(2-methyl-1,3-thiazol-5-yl)methanethiol

C5H7NS2 — CID 82514756

IUPAC(2-methyl-1,3-thiazol-5-yl)methanethiol
SMILESCc1ncc(CS)s1
InChIInChI=1S/C5H7NS2/c1-4-6-2-5(3-7)8-4/h2,7H,3H2,1H3
InChIKeyVBGMTSIXCKNGSX-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.88
Rot. Bonds1

About (2-methyl-1,3-thiazol-5-yl)methanethiol

(2-methyl-1,3-thiazol-5-yl)methanethiol (PubChem CID 82514756) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methanethiol.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methanethiol
PubChem CID82514756
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methanethiol
SMILESCc1ncc(CS)s1
InChIInChI=1S/C5H7NS2/c1-4-6-2-5(3-7)8-4/h2,7H,3H2,1H3
InChIKeyVBGMTSIXCKNGSX-UHFFFAOYSA-N
XLogP1.88
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.88
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

5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
CID 155978412
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
[2-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82424310
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
5-but-3-enyl-2-methyl-1,3-thiazole
CID 145451316
5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole
CID 79456438
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)methanethiol?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methanethiol (CID 82514756) is (2-methyl-1,3-thiazol-5-yl)methanethiol.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methanethiol?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methanethiol is Cc1ncc(CS)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methanethiol?
The InChIKey is VBGMTSIXCKNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-4-6-2-5(3-7)8-4/h2,7H,3H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methanethiol?
(2-methyl-1,3-thiazol-5-yl)methanethiol has a molecular weight of 145.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)methanethiol is sourced from PubChem (CID 82514756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).