N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide

C12H21N5OS — CID 55046326

IUPACN-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCCCNc1snnc1CN(C)CC(=O)NC1CC1
InChIInChI=1S/C12H21N5OS/c1-3-6-13-12-10(15-16-19-12)7-17(2)8-11(18)14-9-4-5-9/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyJFRMBXFWTKMVDS-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.07
Rot. Bonds8

About N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide

N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide (PubChem CID 55046326) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
PubChem CID55046326
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCCCNc1snnc1CN(C)CC(=O)NC1CC1
InChIInChI=1S/C12H21N5OS/c1-3-6-13-12-10(15-16-19-12)7-17(2)8-11(18)14-9-4-5-9/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyJFRMBXFWTKMVDS-UHFFFAOYSA-N
XLogP1.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 55046085
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 55046086
2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55046095
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 55046096
N-ethyl-2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]acetamide
CID 55046180
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046232
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 55046322
N,N-diethyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046329
2-[Cyclopentyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046371
2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 55046372
2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046373

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide (CID 55046326) is N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide is CCCNc1snnc1CN(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The InChIKey is JFRMBXFWTKMVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-6-13-12-10(15-16-19-12)7-17(2)8-11(18)14-9-4-5-9/h9,13H,3-8H2,1-2H3,(H,14,18).
What are the key properties of N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide is sourced from PubChem (CID 55046326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).