N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide

C13H19N5OS3 — CID 91836808

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
SMILESCCSc1nnc(NC(=O)CN(C)CCc2scnc2C)s1
InChIInChI=1S/C13H19N5OS3/c1-4-20-13-17-16-12(22-13)15-11(19)7-18(3)6-5-10-9(2)14-8-21-10/h8H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyMSJJTGHDWJLRSX-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.53
Rot. Bonds8

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide (PubChem CID 91836808) has the molecular formula C13H19N5OS3 and a molecular weight of 357.53 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
PubChem CID91836808
Molecular FormulaC13H19N5OS3
Molecular Weight357.53 g/mol
Exact Mass357.08
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
SMILESCCSc1nnc(NC(=O)CN(C)CCc2scnc2C)s1
InChIInChI=1S/C13H19N5OS3/c1-4-20-13-17-16-12(22-13)15-11(19)7-18(3)6-5-10-9(2)14-8-21-10/h8H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyMSJJTGHDWJLRSX-UHFFFAOYSA-N
XLogP2.53
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
CID 50949141
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229294
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 91843033
3-(4-ethoxyphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19229524
4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17218005
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100582895
3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
CID 91833614
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458211
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
trans-(1S,2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2111712

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide (CID 91836808) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide is CCSc1nnc(NC(=O)CN(C)CCc2scnc2C)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
The InChIKey is MSJJTGHDWJLRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS3/c1-4-20-13-17-16-12(22-13)15-11(19)7-18(3)6-5-10-9(2)14-8-21-10/h8H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide has a molecular weight of 357.53 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 91836808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).