2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide

C8H13ClN4OS — CID 60676735

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1nnsc1Cl
InChIInChI=1S/C8H13ClN4OS/c1-5(2)13(4-7(10)14)3-6-8(9)15-12-11-6/h5H,3-4H2,1-2H3,(H2,10,14)
InChIKeyPYTWIVBCKIHQQT-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.89
Rot. Bonds5

About 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide

2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 60676735) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide
PubChem CID60676735
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1nnsc1Cl
InChIInChI=1S/C8H13ClN4OS/c1-5(2)13(4-7(10)14)3-6-8(9)15-12-11-6/h5H,3-4H2,1-2H3,(H2,10,14)
InChIKeyPYTWIVBCKIHQQT-UHFFFAOYSA-N
XLogP0.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.89
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
N-tert-butyl-2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]acetamide
CID 32104543
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 35886365
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
1-[(5-Chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 43407864
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide (CID 60676735) is 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is PYTWIVBCKIHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4OS/c1-5(2)13(4-7(10)14)3-6-8(9)15-12-11-6/h5H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 248.74 g/mol, XLogP of 0.89, 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-propan-2-ylamino]acetamide is sourced from PubChem (CID 60676735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).