(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol

C10H17N3OS — CID 79245937

IUPAC(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-6(2)8(5-14)11-10-12-9(13-15-10)7-3-4-7/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)/t8-/m1/s1
InChIKeyVGTSZXXMHZHZLB-MRVPVSSYSA-N
MW227.33 g/mol
LogP1.84
Rot. Bonds5

About (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol (PubChem CID 79245937) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
PubChem CID79245937
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-6(2)8(5-14)11-10-12-9(13-15-10)7-3-4-7/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)/t8-/m1/s1
InChIKeyVGTSZXXMHZHZLB-MRVPVSSYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol (CID 79245937) is (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1nc(C2CC2)ns1.
What is the InChIKey of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
The InChIKey is VGTSZXXMHZHZLB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)8(5-14)11-10-12-9(13-15-10)7-3-4-7/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)/t8-/m1/s1.
What are the key properties of (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79245937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).