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

C8H15N3OS — CID 130703904

IUPACN-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOC(C)[C@H](C)Nc1nnc(C)s1
InChIInChI=1S/C8H15N3OS/c1-5(6(2)12-4)9-8-11-10-7(3)13-8/h5-6H,1-4H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyGXLPFQFGNWVAAE-ZBHICJROSA-N
MW201.29 g/mol
LogP1.68
Rot. Bonds4

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

N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 130703904) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID130703904
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOC(C)[C@H](C)Nc1nnc(C)s1
InChIInChI=1S/C8H15N3OS/c1-5(6(2)12-4)9-8-11-10-7(3)13-8/h5-6H,1-4H3,(H,9,11)/t5-,6?/m0/s1
InChIKeyGXLPFQFGNWVAAE-ZBHICJROSA-N
XLogP1.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 130703904) is N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine is COC(C)[C@H](C)Nc1nnc(C)s1.
What is the InChIKey of N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GXLPFQFGNWVAAE-ZBHICJROSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(6(2)12-4)9-8-11-10-7(3)13-8/h5-6H,1-4H3,(H,9,11)/t5-,6?/m0/s1.
What are the key properties of N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methoxybutan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130703904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).