2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

C10H19N3OS2 — CID 64806206

IUPAC2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCC(C)NC(C)(CO)CCSc1nncs1
InChIInChI=1S/C10H19N3OS2/c1-8(2)12-10(3,6-14)4-5-15-9-13-11-7-16-9/h7-8,12,14H,4-6H2,1-3H3
InChIKeyHTMWXJKBFNYYLP-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.77
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64806206) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64806206
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCC(C)NC(C)(CO)CCSc1nncs1
InChIInChI=1S/C10H19N3OS2/c1-8(2)12-10(3,6-14)4-5-15-9-13-11-7-16-9/h7-8,12,14H,4-6H2,1-3H3
InChIKeyHTMWXJKBFNYYLP-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64806206) is 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is CC(C)NC(C)(CO)CCSc1nncs1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is HTMWXJKBFNYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-8(2)12-10(3,6-14)4-5-15-9-13-11-7-16-9/h7-8,12,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 261.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64806206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).