2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide

C10H17ClN4OS — CID 51225641

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nnsc1Cl
InChIInChI=1S/C10H17ClN4OS/c1-4-15(6-9(16)12-7(2)3)5-8-10(11)17-14-13-8/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyFDPQULJLZNRMOU-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.54
Rot. Bonds6

About 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 51225641) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID51225641
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nnsc1Cl
InChIInChI=1S/C10H17ClN4OS/c1-4-15(6-9(16)12-7(2)3)5-8-10(11)17-14-13-8/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyFDPQULJLZNRMOU-UHFFFAOYSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.54
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
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 24595594
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
CID 24616814
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 51225641) is 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is FDPQULJLZNRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-4-15(6-9(16)12-7(2)3)5-8-10(11)17-14-13-8/h7H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 276.79 g/mol, XLogP of 1.54, 6 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-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 51225641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).