5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine

C11H18N6S2 — CID 138481149

IUPAC5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCN1N=C([C@H]2CCC[C@H](c3nnc(N)s3)C2)SC1N
InChIInChI=1S/C11H18N6S2/c1-17-11(13)19-9(16-17)7-4-2-3-6(5-7)8-14-15-10(12)18-8/h6-7,11H,2-5,13H2,1H3,(H2,12,15)/t6-,7-,11?/m0/s1
InChIKeyVWMBKAVPVOEXLR-YKFGJVJNSA-N
MW298.44 g/mol
LogP1.63
Rot. Bonds2

About 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine

5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 138481149) has the molecular formula C11H18N6S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine
PubChem CID138481149
Molecular FormulaC11H18N6S2
Molecular Weight298.44 g/mol
Exact Mass298.10
IUPAC Name5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCN1N=C([C@H]2CCC[C@H](c3nnc(N)s3)C2)SC1N
InChIInChI=1S/C11H18N6S2/c1-17-11(13)19-9(16-17)7-4-2-3-6(5-7)8-14-15-10(12)18-8/h6-7,11H,2-5,13H2,1H3,(H2,12,15)/t6-,7-,11?/m0/s1
InChIKeyVWMBKAVPVOEXLR-YKFGJVJNSA-N
XLogP1.63
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
CID 144630869
5-[3-(7-imino-4-methyl-5,6-dihydro-4H-1,3-thiazepin-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 123298397
5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 123883980
5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
CID 94191622
5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 123584574
5-(4-chlorocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 21447844
5-(4-iodocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 21454636
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600075
N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 144630964
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 51604277
5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate
CID 159205125

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 138481149) is 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine is CN1N=C([C@H]2CCC[C@H](c3nnc(N)s3)C2)SC1N.
What is the InChIKey of 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VWMBKAVPVOEXLR-YKFGJVJNSA-N. The full InChI is InChI=1S/C11H18N6S2/c1-17-11(13)19-9(16-17)7-4-2-3-6(5-7)8-14-15-10(12)18-8/h6-7,11H,2-5,13H2,1H3,(H2,12,15)/t6-,7-,11?/m0/s1.
What are the key properties of 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 298.44 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 138481149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).