(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

C19H26N4OS2 — CID 11920527

IUPAC(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C19H26N4OS2/c1-12-8-7-11-16(13(12)2)21-17(24)14(3)25-19-23-22-18(26-19)20-15-9-5-4-6-10-15/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,20,22)(H,21,24)/t12-,13-,14-,16-/m1/s1
InChIKeyKDPUIENQELCSMX-IXYNUQLISA-N
MW390.58 g/mol
LogP4.70
Rot. Bonds6

About (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 11920527) has the molecular formula C19H26N4OS2 and a molecular weight of 390.58 g/mol. Its IUPAC name is (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
PubChem CID11920527
Molecular FormulaC19H26N4OS2
Molecular Weight390.58 g/mol
Exact Mass390.15
IUPAC Name(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C19H26N4OS2/c1-12-8-7-11-16(13(12)2)21-17(24)14(3)25-19-23-22-18(26-19)20-15-9-5-4-6-10-15/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,20,22)(H,21,24)/t12-,13-,14-,16-/m1/s1
InChIKeyKDPUIENQELCSMX-IXYNUQLISA-N
XLogP4.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 11921163
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8024951
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 2648064
(2S)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11934495
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11930537
(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-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 11920427
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7999866
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98325388
N-cyclopentyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 3496244
methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 42971507
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 11915021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (CID 11920527) is (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1.
What is the InChIKey of (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is KDPUIENQELCSMX-IXYNUQLISA-N. The full InChI is InChI=1S/C19H26N4OS2/c1-12-8-7-11-16(13(12)2)21-17(24)14(3)25-19-23-22-18(26-19)20-15-9-5-4-6-10-15/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,20,22)(H,21,24)/t12-,13-,14-,16-/m1/s1.
What are the key properties of (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 390.58 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 11920527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).