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

C9H17N3OS — CID 130703976

IUPAC3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCc1nsc(NC(CO)C(C)(C)C)n1
InChIInChI=1S/C9H17N3OS/c1-6-10-8(14-12-6)11-7(5-13)9(2,3)4/h7,13H,5H2,1-4H3,(H,10,11,12)
InChIKeyUDYHBEYKJBIOJT-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.67
Rot. Bonds3

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

3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (PubChem CID 130703976) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
PubChem CID130703976
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCc1nsc(NC(CO)C(C)(C)C)n1
InChIInChI=1S/C9H17N3OS/c1-6-10-8(14-12-6)11-7(5-13)9(2,3)4/h7,13H,5H2,1-4H3,(H,10,11,12)
InChIKeyUDYHBEYKJBIOJT-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79033406
3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65273090
N-(4-cyclopropylbutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133480454
3-methyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butanoic acid
CID 65267662
(2S)-3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 122049683
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
CID 103894668
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 107269261
(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 126988145
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270930
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268030

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (CID 130703976) is 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is Cc1nsc(NC(CO)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The InChIKey is UDYHBEYKJBIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-6-10-8(14-12-6)11-7(5-13)9(2,3)4/h7,13H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 130703976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).