1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol

C7H14N4OS — CID 80606319

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1nnc(N)s1
InChIInChI=1S/C7H14N4OS/c1-5(12)3-11(2)4-6-9-10-7(8)13-6/h5,12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyBPTRDTNMOKOVHM-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.07
Rot. Bonds4

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol (PubChem CID 80606319) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol
PubChem CID80606319
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1nnc(N)s1
InChIInChI=1S/C7H14N4OS/c1-5(12)3-11(2)4-6-9-10-7(8)13-6/h5,12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyBPTRDTNMOKOVHM-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol (CID 80606319) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1nnc(N)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol?
The InChIKey is BPTRDTNMOKOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-5(12)3-11(2)4-6-9-10-7(8)13-6/h5,12H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol has a molecular weight of 202.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 80606319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).