(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile

C8H12N4S2 — CID 9379597

IUPAC(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
SMILESCCNc1nnc(SC[C@H](C)C#N)s1
InChIInChI=1S/C8H12N4S2/c1-3-10-7-11-12-8(14-7)13-5-6(2)4-9/h6H,3,5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyKGFFMFVHIYVADB-ZCFIWIBFSA-N
MW228.35 g/mol
LogP2.22
Rot. Bonds5

About (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile

(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile (PubChem CID 9379597) has the molecular formula C8H12N4S2 and a molecular weight of 228.35 g/mol. Its IUPAC name is (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
PubChem CID9379597
Molecular FormulaC8H12N4S2
Molecular Weight228.35 g/mol
Exact Mass228.05
IUPAC Name(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
SMILESCCNc1nnc(SC[C@H](C)C#N)s1
InChIInChI=1S/C8H12N4S2/c1-3-10-7-11-12-8(14-7)13-5-6(2)4-9/h6H,3,5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyKGFFMFVHIYVADB-ZCFIWIBFSA-N
XLogP2.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-hydroxyethyl]benzonitrile
CID 110885224
(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
CID 9477583
1-(4-chlorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 47148653
4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile
CID 30932144
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 41457712
(1S)-1-(2,5-difluorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 94189887
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methoxyphenoxy)propan-2-ol
CID 30661617
N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 35500116
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9379614
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133427688

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The IUPAC name of (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile (CID 9379597) is (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile.
What is the SMILES notation for (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The canonical SMILES for (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile is CCNc1nnc(SC[C@H](C)C#N)s1.
What is the InChIKey of (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The InChIKey is KGFFMFVHIYVADB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N4S2/c1-3-10-7-11-12-8(14-7)13-5-6(2)4-9/h6H,3,5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile has a molecular weight of 228.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile is sourced from PubChem (CID 9379597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).