3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol

C8H14N2O2S — CID 170827544

IUPAC3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
SMILESCc1nc(C)c(C(O)C(O)CN)s1
InChIInChI=1S/C8H14N2O2S/c1-4-8(13-5(2)10-4)7(12)6(11)3-9/h6-7,11-12H,3,9H2,1-2H3
InChIKeyRFNVNLVUPSQSRB-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.11
Rot. Bonds3

About 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol

3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol (PubChem CID 170827544) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
PubChem CID170827544
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
SMILESCc1nc(C)c(C(O)C(O)CN)s1
InChIInChI=1S/C8H14N2O2S/c1-4-8(13-5(2)10-4)7(12)6(11)3-9/h6-7,11-12H,3,9H2,1-2H3
InChIKeyRFNVNLVUPSQSRB-UHFFFAOYSA-N
XLogP0.11
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887192
N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170829536
1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
CID 82630324
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methylbutanoate
CID 116887286
(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CID 114033768
1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol
CID 130175703
cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CID 83686035
S-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170821376
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol (CID 170827544) is 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol is Cc1nc(C)c(C(O)C(O)CN)s1.
What is the InChIKey of 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol?
The InChIKey is RFNVNLVUPSQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-4-8(13-5(2)10-4)7(12)6(11)3-9/h6-7,11-12H,3,9H2,1-2H3.
What are the key properties of 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol?
3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol has a molecular weight of 202.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol is sourced from PubChem (CID 170827544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).