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

C8H15N3OS — CID 115644021

IUPAC2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCc1nnc(NC(C)C(C)CO)s1
InChIInChI=1S/C8H15N3OS/c1-5(4-12)6(2)9-8-11-10-7(3)13-8/h5-6,12H,4H2,1-3H3,(H,9,11)
InChIKeyISINMPTVECCRQJ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.28
Rot. Bonds4

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

2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (PubChem CID 115644021) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
PubChem CID115644021
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
SMILESCc1nnc(NC(C)C(C)CO)s1
InChIInChI=1S/C8H15N3OS/c1-5(4-12)6(2)9-8-11-10-7(3)13-8/h5-6,12H,4H2,1-3H3,(H,9,11)
InChIKeyISINMPTVECCRQJ-UHFFFAOYSA-N
XLogP1.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 131154744
N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 130703904
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
N-but-3-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 115691991
N-(1-cyclopropylpropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208992
(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide
CID 131162038
5-methyl-N-[1-(1-methylcyclopropyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648350
2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid
CID 65289975
5-methyl-N-pent-1-yn-3-yl-1,3,4-thiadiazol-2-amine
CID 106231150
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol (CID 115644021) is 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is Cc1nnc(NC(C)C(C)CO)s1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
The InChIKey is ISINMPTVECCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(4-12)6(2)9-8-11-10-7(3)13-8/h5-6,12H,4H2,1-3H3,(H,9,11).
What are the key properties of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol?
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 115644021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).