(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C12H20N4OS2 — CID 98325388

IUPAC(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C12H20N4OS2/c1-7-5-3-4-6-9(7)14-10(17)8(2)18-12-16-15-11(13)19-12/h7-9H,3-6H2,1-2H3,(H2,13,15)(H,14,17)/t7-,8-,9+/m0/s1
InChIKeySDMBTWJVIIQXQQ-XHNCKOQMSA-N
MW300.45 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 98325388) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID98325388
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C12H20N4OS2/c1-7-5-3-4-6-9(7)14-10(17)8(2)18-12-16-15-11(13)19-12/h7-9H,3-6H2,1-2H3,(H2,13,15)(H,14,17)/t7-,8-,9+/m0/s1
InChIKeySDMBTWJVIIQXQQ-XHNCKOQMSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11930537
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11913602
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
(2S)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11934495
(2R)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124730176
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 978287
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 978286
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11920527
(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98605016
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 11916061
(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 11921163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 98325388) is (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide is C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is SDMBTWJVIIQXQQ-XHNCKOQMSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-7-5-3-4-6-9(7)14-10(17)8(2)18-12-16-15-11(13)19-12/h7-9H,3-6H2,1-2H3,(H2,13,15)(H,14,17)/t7-,8-,9+/m0/s1.
What are the key properties of (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 300.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 98325388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).