1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

C7H12N2OS2 — CID 43188142

IUPAC1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1csc(SCC(O)CN)n1
InChIInChI=1S/C7H12N2OS2/c1-5-3-11-7(9-5)12-4-6(10)2-8/h3,6,10H,2,4,8H2,1H3
InChIKeyGSAZBEFOBOWBIJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.86
Rot. Bonds4

About 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 43188142) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID43188142
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1csc(SCC(O)CN)n1
InChIInChI=1S/C7H12N2OS2/c1-5-3-11-7(9-5)12-4-6(10)2-8/h3,6,10H,2,4,8H2,1H3
InChIKeyGSAZBEFOBOWBIJ-UHFFFAOYSA-N
XLogP0.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 62266989
1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 106992395
1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 75858434
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759
1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 78815982
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650383
2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 63035563
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (CID 43188142) is 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is Cc1csc(SCC(O)CN)n1.
What is the InChIKey of 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is GSAZBEFOBOWBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-5-3-11-7(9-5)12-4-6(10)2-8/h3,6,10H,2,4,8H2,1H3.
What are the key properties of 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 204.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 43188142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).