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

C9H15N3OS — CID 131107678

IUPACN-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOC[C@H]1CC[C@@H]1Nc1nnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-6-11-12-9(14-6)10-8-4-3-7(8)5-13-2/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyPKCQKCVMVJWCQX-SFYZADRCSA-N
MW213.31 g/mol
LogP1.68
Rot. Bonds4

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

N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 131107678) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID131107678
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOC[C@H]1CC[C@@H]1Nc1nnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-6-11-12-9(14-6)10-8-4-3-7(8)5-13-2/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyPKCQKCVMVJWCQX-SFYZADRCSA-N
XLogP1.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79110490
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65208967
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650
N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 102609219
1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine
CID 107648214
N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 66186567
N-(2,2-dimethylcyclopropyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 64983019
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine
CID 22899275
5-methyl-N-(2-piperidin-2-ylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107648271
5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 65208215
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclohexane-1-carboxylate
CID 108778241

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 131107678) is N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine is COC[C@H]1CC[C@@H]1Nc1nnc(C)s1.
What is the InChIKey of N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PKCQKCVMVJWCQX-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-11-12-9(14-6)10-8-4-3-7(8)5-13-2/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1.
What are the key properties of N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.31 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-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131107678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).