1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol

C10H20N4OS2 — CID 55242984

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-7(2)11-5-8(15)6-16-10-13-12-9(17-10)14(3)4/h7-8,11,15H,5-6H2,1-4H3
InChIKeyHMNQAPXXAWWSQP-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.06
Rot. Bonds7

About 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 55242984) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
PubChem CID55242984
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-7(2)11-5-8(15)6-16-10-13-12-9(17-10)14(3)4/h7-8,11,15H,5-6H2,1-4H3
InChIKeyHMNQAPXXAWWSQP-UHFFFAOYSA-N
XLogP1.06
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol (CID 55242984) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is HMNQAPXXAWWSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-7(2)11-5-8(15)6-16-10-13-12-9(17-10)14(3)4/h7-8,11,15H,5-6H2,1-4H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 276.43 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 55242984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).