N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine

C8H15N3OS — CID 65209050

IUPACN-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(COC)Nc1nnc(C)s1
InChIInChI=1S/C8H15N3OS/c1-4-7(5-12-3)9-8-11-10-6(2)13-8/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeyHKSYJZFXUDGCNU-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.68
Rot. Bonds5

About N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 65209050) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID65209050
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(COC)Nc1nnc(C)s1
InChIInChI=1S/C8H15N3OS/c1-4-7(5-12-3)9-8-11-10-6(2)13-8/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeyHKSYJZFXUDGCNU-UHFFFAOYSA-N
XLogP1.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
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
5-methyl-N-pent-1-yn-3-yl-1,3,4-thiadiazol-2-amine
CID 106231150
5-methyl-N-octan-4-yl-1,3,4-thiadiazol-2-amine
CID 103729148
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424657
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 130703904
N-(1-methoxybutan-2-yl)-1,4-dimethylimidazol-2-amine
CID 106574698
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine
CID 22899275
(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 129199722
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647778

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 65209050) is N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine is CCC(COC)Nc1nnc(C)s1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HKSYJZFXUDGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-7(5-12-3)9-8-11-10-6(2)13-8/h7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).