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

C12H23N5OS — CID 80606213

IUPACN-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
SMILESCCCNc1nnc(CN(CC)CC(=O)NCC)s1
InChIInChI=1S/C12H23N5OS/c1-4-7-14-12-16-15-11(19-12)9-17(6-3)8-10(18)13-5-2/h4-9H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyUNJXZRQAFXGGKX-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.32
Rot. Bonds9

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

N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide (PubChem CID 80606213) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
PubChem CID80606213
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC NameN-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
SMILESCCCNc1nnc(CN(CC)CC(=O)NCC)s1
InChIInChI=1S/C12H23N5OS/c1-4-7-14-12-16-15-11(19-12)9-17(6-3)8-10(18)13-5-2/h4-9H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyUNJXZRQAFXGGKX-UHFFFAOYSA-N
XLogP1.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
5-[[bis(3-methylbutyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 107871076
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
2-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 80606899
2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
CID 80614280
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
CID 80606572
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
5-[[2-ethoxyethyl(methyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 81074660
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide (CID 80606213) is N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide is CCCNc1nnc(CN(CC)CC(=O)NCC)s1.
What is the InChIKey of N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The InChIKey is UNJXZRQAFXGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-4-7-14-12-16-15-11(19-12)9-17(6-3)8-10(18)13-5-2/h4-9H2,1-3H3,(H,13,18)(H,14,16).
What are the key properties of N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide has a molecular weight of 285.42 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 80606213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).