2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide

C9H13ClN4OS — CID 35886365

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1nnsc1Cl
InChIInChI=1S/C9H13ClN4OS/c1-14(4-7-9(10)16-13-12-7)5-8(15)11-6-2-3-6/h6H,2-5H2,1H3,(H,11,15)
InChIKeyPZMVFTUXZMDVJC-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.90
Rot. Bonds5

About 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide

2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 35886365) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
PubChem CID35886365
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1nnsc1Cl
InChIInChI=1S/C9H13ClN4OS/c1-14(4-7-9(10)16-13-12-7)5-8(15)11-6-2-3-6/h6H,2-5H2,1H3,(H,11,15)
InChIKeyPZMVFTUXZMDVJC-UHFFFAOYSA-N
XLogP0.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 43408936
(2S)-2-[(5-chlorothiadiazol-4-yl)methylamino]-3,3-dimethylbutanamide
CID 71983348
2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 16364921
2-(((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)(methyl)amino)-N-propylacetamide
CID 24490933
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 24492306
2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 31688574
N-tert-butyl-2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]acetamide
CID 32104543
4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-2-one
CID 40005523
N-butyl-2-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 43013261
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 43407879
1-[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 43408265
2-[(5-Chlorothiadiazol-4-yl)methyl-methylamino]acetamide
CID 43625562

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide (CID 35886365) is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is PZMVFTUXZMDVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-14(4-7-9(10)16-13-12-7)5-8(15)11-6-2-3-6/h6H,2-5H2,1H3,(H,11,15).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 260.75 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 35886365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).