1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C12H21N5OS — CID 106321573

IUPAC1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNc1nnc(CN2CCC(C)(C(=O)NC)C2)s1
InChIInChI=1S/C12H21N5OS/c1-4-14-11-16-15-9(19-11)7-17-6-5-12(2,8-17)10(18)13-3/h4-8H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyRJGMMZQUGFKKRO-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.93
Rot. Bonds5

About 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321573) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321573
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNc1nnc(CN2CCC(C)(C(=O)NC)C2)s1
InChIInChI=1S/C12H21N5OS/c1-4-14-11-16-15-9(19-11)7-17-6-5-12(2,8-17)10(18)13-3/h4-8H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyRJGMMZQUGFKKRO-UHFFFAOYSA-N
XLogP0.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321678
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606120
ethyl 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 107877685
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317421
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102871
1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318064
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 80606498
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892626
1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172807
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321573) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CCNc1nnc(CN2CCC(C)(C(=O)NC)C2)s1.
What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is RJGMMZQUGFKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-4-14-11-16-15-9(19-11)7-17-6-5-12(2,8-17)10(18)13-3/h4-8H2,1-3H3,(H,13,18)(H,14,16).
What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).