4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine

C8H12N2OS2 — CID 63558955

IUPAC4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CCOC1
InChIInChI=1S/C8H12N2OS2/c1-5-7(13-8(9)10-5)12-6-2-3-11-4-6/h6H,2-4H2,1H3,(H2,9,10)
InChIKeyLDZIEDHFJBBCPR-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.91
Rot. Bonds2

About 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 63558955) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine
PubChem CID63558955
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CCOC1
InChIInChI=1S/C8H12N2OS2/c1-5-7(13-8(9)10-5)12-6-2-3-11-4-6/h6H,2-4H2,1H3,(H2,9,10)
InChIKeyLDZIEDHFJBBCPR-UHFFFAOYSA-N
XLogP1.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine
CID 63934809
5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 79905703
4-methyl-5-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62385880
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol
CID 60886467
4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine
CID 114621515
2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline
CID 124620253
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 80713116
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 43117472
4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine
CID 107891696
2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945815
4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine
CID 126988373
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine (CID 63558955) is 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SC1CCOC1.
What is the InChIKey of 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is LDZIEDHFJBBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-5-7(13-8(9)10-5)12-6-2-3-11-4-6/h6H,2-4H2,1H3,(H2,9,10).
What are the key properties of 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 216.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63558955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).