1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C8H17N5OS — CID 106149684

IUPAC1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(N)ns1
InChIInChI=1S/C8H17N5OS/c1-8(14,5-13(2)3)4-10-7-11-6(9)12-15-7/h14H,4-5H2,1-3H3,(H3,9,10,11,12)
InChIKeyMXWOKSWGDGYXRT-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.16
Rot. Bonds5

About 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106149684) has the molecular formula C8H17N5OS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106149684
Molecular FormulaC8H17N5OS
Molecular Weight231.32 g/mol
Exact Mass231.12
IUPAC Name1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(N)ns1
InChIInChI=1S/C8H17N5OS/c1-8(14,5-13(2)3)4-10-7-11-6(9)12-15-7/h14H,4-5H2,1-3H3,(H3,9,10,11,12)
InChIKeyMXWOKSWGDGYXRT-UHFFFAOYSA-N
XLogP-0.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106149684) is 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1nc(N)ns1.
What is the InChIKey of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is MXWOKSWGDGYXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5OS/c1-8(14,5-13(2)3)4-10-7-11-6(9)12-15-7/h14H,4-5H2,1-3H3,(H3,9,10,11,12).
What are the key properties of 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 231.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106149684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).