N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine

C18H19N3S2 — CID 35500116

IUPACN-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(S[C@@H](c2ccccc2)c2ccccc2C)s1
InChIInChI=1S/C18H19N3S2/c1-3-19-17-20-21-18(23-17)22-16(14-10-5-4-6-11-14)15-12-8-7-9-13(15)2/h4-12,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyMRMUCNABMNMOGN-INIZCTEOSA-N
MW341.51 g/mol
LogP5.16
Rot. Bonds6

About N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 35500116) has the molecular formula C18H19N3S2 and a molecular weight of 341.51 g/mol. Its IUPAC name is N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID35500116
Molecular FormulaC18H19N3S2
Molecular Weight341.51 g/mol
Exact Mass341.10
IUPAC NameN-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(S[C@@H](c2ccccc2)c2ccccc2C)s1
InChIInChI=1S/C18H19N3S2/c1-3-19-17-20-21-18(23-17)22-16(14-10-5-4-6-11-14)15-12-8-7-9-13(15)2/h4-12,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyMRMUCNABMNMOGN-INIZCTEOSA-N
XLogP5.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 40799457
4-[5-[(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine
CID 47944469
2,5-bis(benzhydrylsulfanyl)-1,3,4-thiadiazole
CID 4020982
5-benzhydrylsulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 26027408
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460
N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51210035
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
CID 141458564
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8910348
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 41457712
(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
CID 9379597
N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 51236974
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46677017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 35500116) is N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(S[C@@H](c2ccccc2)c2ccccc2C)s1.
What is the InChIKey of N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MRMUCNABMNMOGN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3S2/c1-3-19-17-20-21-18(23-17)22-16(14-10-5-4-6-11-14)15-12-8-7-9-13(15)2/h4-12,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 341.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35500116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).