2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol

C7H14N4OS — CID 66280128

IUPAC2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nc(N)ns1
InChIInChI=1S/C7H14N4OS/c1-5(2)11(3-4-12)7-9-6(8)10-13-7/h5,12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyMDZYZPWVQBCWMR-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.33
Rot. Bonds4

About 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol

2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol (PubChem CID 66280128) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
PubChem CID66280128
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nc(N)ns1
InChIInChI=1S/C7H14N4OS/c1-5(2)11(3-4-12)7-9-6(8)10-13-7/h5,12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyMDZYZPWVQBCWMR-UHFFFAOYSA-N
XLogP0.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N,5-N-dipropyl-1,2,4-thiadiazole-3,5-diamine
CID 66280567
2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
CID 103436921
2-[(3-aminopyrazin-2-yl)-propan-2-ylamino]ethanol
CID 102986225
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 102768036
5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 82952969
3-[propan-2-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
CID 65272301
2-[(2-amino-2-oxoethyl)-(3-amino-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 66280993
5-N-(2,2-dimethylpropyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 66279899
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
CID 60693391
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
3-[(6-amino-1,3-benzothiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 63231417

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol (CID 66280128) is 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol is CC(C)N(CCO)c1nc(N)ns1.
What is the InChIKey of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
The InChIKey is MDZYZPWVQBCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-5(2)11(3-4-12)7-9-6(8)10-13-7/h5,12H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol?
2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol has a molecular weight of 202.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 66280128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).