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

C7H13N3OS — CID 131154744

IUPAC(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-3-6(4-11)8-7-10-9-5(2)12-7/h6,11H,3-4H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyCWXDSCZXXNOAQU-ZCFIWIBFSA-N
MW187.27 g/mol
LogP1.03
Rot. Bonds4

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

(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (PubChem CID 131154744) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
PubChem CID131154744
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-3-6(4-11)8-7-10-9-5(2)12-7/h6,11H,3-4H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyCWXDSCZXXNOAQU-ZCFIWIBFSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (CID 131154744) is (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is CC[C@H](CO)Nc1nnc(C)s1.
What is the InChIKey of (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The InChIKey is CWXDSCZXXNOAQU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-3-6(4-11)8-7-10-9-5(2)12-7/h6,11H,3-4H2,1-2H3,(H,8,10)/t6-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol has a molecular weight of 187.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 131154744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).