2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide

C12H21N5OS — CID 80606596

IUPAC2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
SMILESCCNc1nnc(CN(CC(N)=O)C2CCCC2)s1
InChIInChI=1S/C12H21N5OS/c1-2-14-12-16-15-11(19-12)8-17(7-10(13)18)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyDUSNYISZNFUOQU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.20
Rot. Bonds7

About 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide

2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide (PubChem CID 80606596) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
PubChem CID80606596
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
SMILESCCNc1nnc(CN(CC(N)=O)C2CCCC2)s1
InChIInChI=1S/C12H21N5OS/c1-2-14-12-16-15-11(19-12)8-17(7-10(13)18)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyDUSNYISZNFUOQU-UHFFFAOYSA-N
XLogP1.20
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
CID 115536867
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607133
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
CID 80606572
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 56813193
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylcyclohexanamine
CID 80613778

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide (CID 80606596) is 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide is CCNc1nnc(CN(CC(N)=O)C2CCCC2)s1.
What is the InChIKey of 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The InChIKey is DUSNYISZNFUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-14-12-16-15-11(19-12)8-17(7-10(13)18)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 80606596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).